N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide

C19H24N4O4S3 — CID 75554377

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 75554377) has the molecular formula C19H24N4O4S3 and a molecular weight of 468.63 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide
• PubChem CID: 75554377
• Molecular Formula: C19H24N4O4S3
• Molecular Weight: 468.63 g/mol
• Exact Mass: 468.10
• IUPAC Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide
• SMILES: CCC(=O)Nc1ccc(S(=O)(=O)N2CSCC2C(=O)NCCc2csc(C)n2)cc1
• InChI: InChI=1S/C19H24N4O4S3/c1-3-18(24)22-14-4-6-16(7-5-14)30(26,27)23-12-28-11-17(23)19(25)20-9-8-15-10-29-13(2)21-15/h4-7,10,17H,3,8-9,11-12H2,1-2H3,(H,20,25)(H,22,24)
• InChIKey: VCJKWWTUJRWOGC-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.63
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide?

The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide (CID 75554377) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CSCC2C(=O)NCCc2csc(C)n2)cc1.

What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide?

The InChIKey is VCJKWWTUJRWOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S3/c1-3-18(24)22-14-4-6-16(7-5-14)30(26,27)23-12-28-11-17(23)19(25)20-9-8-15-10-29-13(2)21-15/h4-7,10,17H,3,8-9,11-12H2,1-2H3,(H,20,25)(H,22,24).

What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide?

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 468.63 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[4-(propanoylamino)phenyl]sulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 75554377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).