2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide

C23H25ClN4O3S — CID 42814213

About 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 42814213) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 42814213
• Molecular Formula: C23H25ClN4O3S
• Molecular Weight: 473.00 g/mol
• Exact Mass: 472.13
• IUPAC Name: 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1ccc(Cl)cc1Nc1nc(C(=O)N(CCC(=O)N2CCCC2)Cc2ccco2)cs1
• InChI: InChI=1S/C23H25ClN4O3S/c1-16-6-7-17(24)13-19(16)25-23-26-20(15-32-23)22(30)28(14-18-5-4-12-31-18)11-8-21(29)27-9-2-3-10-27/h4-7,12-13,15H,2-3,8-11,14H2,1H3,(H,25,26)
• InChIKey: RDRFJKLLSLWKJN-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.00
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 42814213) is 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide is Cc1ccc(Cl)cc1Nc1nc(C(=O)N(CCC(=O)N2CCCC2)Cc2ccco2)cs1.

What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?

The InChIKey is RDRFJKLLSLWKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-16-6-7-17(24)13-19(16)25-23-26-20(15-32-23)22(30)28(14-18-5-4-12-31-18)11-8-21(29)27-9-2-3-10-27/h4-7,12-13,15H,2-3,8-11,14H2,1H3,(H,25,26).

What are the key properties of 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide?

2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 473.00 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42814213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).