N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide

C20H16F3N7OS — CID 67432376

About N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 67432376) has the molecular formula C20H16F3N7OS and a molecular weight of 459.46 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 67432376
• Molecular Formula: C20H16F3N7OS
• Molecular Weight: 459.46 g/mol
• Exact Mass: 459.11
• IUPAC Name: N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide
• SMILES: Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)NCc3ncc[nH]3)s2)c1
• InChI: InChI=1S/C20H16F3N7OS/c1-11-6-12(8-13(7-11)29-19-26-3-2-15(30-19)20(21,22)23)14-9-28-18(32-14)17(31)27-10-16-24-4-5-25-16/h2-9H,10H2,1H3,(H,24,25)(H,27,31)(H,26,29,30)
• InChIKey: SPXGREWTRABLIZ-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 108.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.46
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide (CID 67432376) is N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(=O)NCc3ncc[nH]3)s2)c1.

What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?

The InChIKey is SPXGREWTRABLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7OS/c1-11-6-12(8-13(7-11)29-19-26-3-2-15(30-19)20(21,22)23)14-9-28-18(32-14)17(31)27-10-16-24-4-5-25-16/h2-9H,10H2,1H3,(H,24,25)(H,27,31)(H,26,29,30).

What are the key properties of N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide?

N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-imidazol-2-ylmethyl)-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67432376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).