2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C24H23FN6OS — CID 145298036

About 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 145298036) has the molecular formula C24H23FN6OS and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 145298036
• Molecular Formula: C24H23FN6OS
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.16
• IUPAC Name: 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCc1ncccc1F)c1csc(C2C3CN(CCc4nc5ccccc5[nH]4)C[C@@H]32)n1
• InChI: InChI=1S/C24H23FN6OS/c25-16-4-3-8-26-19(16)10-27-23(32)20-13-33-24(30-20)22-14-11-31(12-15(14)22)9-7-21-28-17-5-1-2-6-18(17)29-21/h1-6,8,13-15,22H,7,9-12H2,(H,27,32)(H,28,29)/t14-,15?,22?/m0/s1
• InChIKey: PZJGAWXRZSBLKQ-CLRXMSQOSA-N
• XLogP: 3.37
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 145298036) is 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ncccc1F)c1csc(C2C3CN(CCc4nc5ccccc5[nH]4)C[C@@H]32)n1.

What is the InChIKey of 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is PZJGAWXRZSBLKQ-CLRXMSQOSA-N. The full InChI is InChI=1S/C24H23FN6OS/c25-16-4-3-8-26-19(16)10-27-23(32)20-13-33-24(30-20)22-14-11-31(12-15(14)22)9-7-21-28-17-5-1-2-6-18(17)29-21/h1-6,8,13-15,22H,7,9-12H2,(H,27,32)(H,28,29)/t14-,15?,22?/m0/s1.

What are the key properties of 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?

2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 145298036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).