N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide

C18H16FN7O3S — CID 175783403

About N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide

N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide (PubChem CID 175783403) has the molecular formula C18H16FN7O3S and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
• PubChem CID: 175783403
• Molecular Formula: C18H16FN7O3S
• Molecular Weight: 429.44 g/mol
• Exact Mass: 429.10
• IUPAC Name: N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide
• SMILES: Cc1nc([C@@]2(CNC(=O)c3cnn(-c4ccc(F)cc4)n3)NC(=O)NC2=O)c(C)s1
• InChI: InChI=1S/C18H16FN7O3S/c1-9-14(22-10(2)30-9)18(16(28)23-17(29)24-18)8-20-15(27)13-7-21-26(25-13)12-5-3-11(19)4-6-12/h3-7H,8H2,1-2H3,(H,20,27)(H2,23,24,28,29)/t18-/m1/s1
• InChIKey: BJAWLGJSBYAEBI-GOSISDBHSA-N
• XLogP: 0.94
• TPSA: 130.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.44
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide?

The IUPAC name of N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide (CID 175783403) is N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide.

What is the SMILES notation for N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide?

The canonical SMILES for N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide is Cc1nc([C@@]2(CNC(=O)c3cnn(-c4ccc(F)cc4)n3)NC(=O)NC2=O)c(C)s1.

What is the InChIKey of N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide?

The InChIKey is BJAWLGJSBYAEBI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16FN7O3S/c1-9-14(22-10(2)30-9)18(16(28)23-17(29)24-18)8-20-15(27)13-7-21-26(25-13)12-5-3-11(19)4-6-12/h3-7H,8H2,1-2H3,(H,20,27)(H2,23,24,28,29)/t18-/m1/s1.

What are the key properties of N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide?

N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4R)-4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-2-(4-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 175783403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).