(4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide

C18H22N4O4S2 — CID 20973495

IUPAC(4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOc1cc(NC(=O)N2CSC[C@@H]2C(=O)NCc2csc(C)n2)cc(OC)c1
InChIInChI=1S/C18H22N4O4S2/c1-11-20-13(8-28-11)7-19-17(23)16-9-27-10-22(16)18(24)21-12-4-14(25-2)6-15(5-12)26-3/h4-6,8,16H,7,9-10H2,1-3H3,(H,19,23)(H,21,24)/t16-/m1/s1
InChIKeyLZLOMIRVDFXGJM-MRXNPFEDSA-N
MW422.53 g/mol
LogP2.69
Rot. Bonds6

About (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide

(4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide (PubChem CID 20973495) has the molecular formula C18H22N4O4S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide
PubChem CID20973495
Molecular FormulaC18H22N4O4S2
Molecular Weight422.53 g/mol
Exact Mass422.11
IUPAC Name(4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide
SMILESCOc1cc(NC(=O)N2CSC[C@@H]2C(=O)NCc2csc(C)n2)cc(OC)c1
InChIInChI=1S/C18H22N4O4S2/c1-11-20-13(8-28-11)7-19-17(23)16-9-27-10-22(16)18(24)21-12-4-14(25-2)6-15(5-12)26-3/h4-6,8,16H,7,9-10H2,1-3H3,(H,19,23)(H,21,24)/t16-/m1/s1
InChIKeyLZLOMIRVDFXGJM-MRXNPFEDSA-N
XLogP2.69
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide?
The IUPAC name of (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide (CID 20973495) is (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide.
What is the SMILES notation for (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide?
The canonical SMILES for (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide is COc1cc(NC(=O)N2CSC[C@@H]2C(=O)NCc2csc(C)n2)cc(OC)c1.
What is the InChIKey of (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide?
The InChIKey is LZLOMIRVDFXGJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O4S2/c1-11-20-13(8-28-11)7-19-17(23)16-9-27-10-22(16)18(24)21-12-4-14(25-2)6-15(5-12)26-3/h4-6,8,16H,7,9-10H2,1-3H3,(H,19,23)(H,21,24)/t16-/m1/s1.
What are the key properties of (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide?
(4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-N-(3,5-dimethoxyphenyl)-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-3,4-dicarboxamide is sourced from PubChem (CID 20973495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).