4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C21H21N5OS — CID 46971817

About 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 46971817) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 46971817
• Molecular Formula: C21H21N5OS
• Molecular Weight: 391.50 g/mol
• Exact Mass: 391.15
• IUPAC Name: 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C
• InChI: InChI=1S/C21H21N5OS/c1-12(2)19-25-16-10-15(7-8-17(16)26(19)4)24-20(27)18-13(3)23-21(28-18)14-6-5-9-22-11-14/h5-12H,1-4H3,(H,24,27)
• InChIKey: MBQXPLUJFPZBAY-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.50
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 46971817) is 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc2c(c1)nc(C(C)C)n2C.

What is the InChIKey of 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The InChIKey is MBQXPLUJFPZBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-12(2)19-25-16-10-15(7-8-17(16)26(19)4)24-20(27)18-13(3)23-21(28-18)14-6-5-9-22-11-14/h5-12H,1-4H3,(H,24,27).

What are the key properties of 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46971817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).