2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H21N7O2S — CID 71101744

About 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71101744) has the molecular formula C20H21N7O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 71101744
• Molecular Formula: C20H21N7O2S
• Molecular Weight: 423.50 g/mol
• Exact Mass: 423.15
• IUPAC Name: 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2c3c([nH]c2=O)C=CCC3)n1
• InChI: InChI=1S/C20H21N7O2S/c28-18(23-14-11-22-6-5-16(14)26-9-7-21-8-10-26)15-12-30-20(25-15)27-17-4-2-1-3-13(17)24-19(27)29/h1,3,5-6,11-12,21H,2,4,7-10H2,(H,23,28)(H,24,29)
• InChIKey: QVNBMNUEJIRARN-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 107.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.50
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71101744) is 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-n2c3c([nH]c2=O)C=CCC3)n1.

What is the InChIKey of 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is QVNBMNUEJIRARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2S/c28-18(23-14-11-22-6-5-16(14)26-9-7-21-8-10-26)15-12-30-20(25-15)27-17-4-2-1-3-13(17)24-19(27)29/h1,3,5-6,11-12,21H,2,4,7-10H2,(H,23,28)(H,24,29).

What are the key properties of 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?

2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-oxo-6,7-dihydro-3H-benzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71101744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).