[Synonyms]
[Structure]
![N-[4-(4-methoxyphenyl)-1,,3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl](/file/upload/dataimg/118/1172676.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: N-[4-(4-methoxyphenyl)-1,
3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(CC3CCCO3)C(=O)C4=CC=CO4
Isomeric SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(C[C@H]3CCCO3)C(=O)C4=CC=CO4
InChI: InChI=1/C20H20N2O4S/c1-24-15-8-6-14(7-9-15)17-13-27-20(21-17)22(12-16-4-
2-10-25-16)19(23)18-5-3-11-26-18/h3,5-9,11,13,16H,2,4,10,12H2,
1H3/t16-/m1/s1
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 384.4488 [g/mol] |
| Molecular Formula | C20H20N2O4S |
| XLogP | 2.9 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 384.114378 |
| MonoIsotopic Mass | 384.114378 |
| Topological Polar Surface Area | 64.8 |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 500 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 1 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: N-[4-(4-methoxyphenyl)-1,
3-thiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
Canonical SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(CC3CCCO3)C(=O)C4=CC=CO4
Isomeric SMILES: COC1=CC=C(C=C1)C2=CSC(=N2)N(C[C@H]3CCCO3)C(=O)C4=CC=CO4
InChI: InChI=1/C20H20N2O4S/c1-24-15-8-6-14(7-9-15)17-13-27-20(21-17)22(12-16-4-
2-10-25-16)19(23)18-5-3-11-26-18/h3,5-9,11,13,16H,2,4,10,12H2,
1H3/t16-/m1/s1
