(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

C20H19N3O2S3 — CID 20973637

About (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 20973637) has the molecular formula C20H19N3O2S3 and a molecular weight of 429.59 g/mol. Its IUPAC name is (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
• PubChem CID: 20973637
• Molecular Formula: C20H19N3O2S3
• Molecular Weight: 429.59 g/mol
• Exact Mass: 429.06
• IUPAC Name: (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
• SMILES: Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1
• InChI: InChI=1S/C20H19N3O2S3/c1-13-4-6-14(7-5-13)20(25)23-12-26-11-16(23)18(24)21-9-15-10-28-19(22-15)17-3-2-8-27-17/h2-8,10,16H,9,11-12H2,1H3,(H,21,24)/t16-/m1/s1
• InChIKey: JZBBUBFLMBBLCL-MRXNPFEDSA-N
• XLogP: 4.01
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.59
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?

The IUPAC name of (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 20973637) is (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1.

What is the InChIKey of (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?

The InChIKey is JZBBUBFLMBBLCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N3O2S3/c1-13-4-6-14(7-5-13)20(25)23-12-26-11-16(23)18(24)21-9-15-10-28-19(22-15)17-3-2-8-27-17/h2-8,10,16H,9,11-12H2,1H3,(H,21,24)/t16-/m1/s1.

What are the key properties of (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?

(4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-(4-methylbenzoyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 20973637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).