(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C15H11ClF4N4O3S — CID 162520859

About (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520859) has the molecular formula C15H11ClF4N4O3S and a molecular weight of 438.79 g/mol. Its IUPAC name is (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 162520859
• Molecular Formula: C15H11ClF4N4O3S
• Molecular Weight: 438.79 g/mol
• Exact Mass: 438.02
• IUPAC Name: (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: O=C1NC[C@@H](C(=O)N[C@H](c2cnc(OC(F)F)s2)c2ccc(F)c(Cl)c2F)N1
• InChI: InChI=1S/C15H11ClF4N4O3S/c16-9-6(17)2-1-5(10(9)18)11(8-4-22-15(28-8)27-13(19)20)24-12(25)7-3-21-14(26)23-7/h1-2,4,7,11,13H,3H2,(H,24,25)(H2,21,23,26)/t7-,11-/m0/s1
• InChIKey: ZBLOTPHSHWJZDK-CPCISQLKSA-N
• XLogP: 2.56
• TPSA: 92.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.79
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520859) is (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2cnc(OC(F)F)s2)c2ccc(F)c(Cl)c2F)N1.

What is the InChIKey of (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is ZBLOTPHSHWJZDK-CPCISQLKSA-N. The full InChI is InChI=1S/C15H11ClF4N4O3S/c16-9-6(17)2-1-5(10(9)18)11(8-4-22-15(28-8)27-13(19)20)24-12(25)7-3-21-14(26)23-7/h1-2,4,7,11,13H,3H2,(H,24,25)(H2,21,23,26)/t7-,11-/m0/s1.

What are the key properties of (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?

(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 438.79 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).