N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide

C22H16Cl2F3N7O2S — CID 58564382

About N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 58564382) has the molecular formula C22H16Cl2F3N7O2S and a molecular weight of 570.38 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 58564382
• Molecular Formula: C22H16Cl2F3N7O2S
• Molecular Weight: 570.38 g/mol
• Exact Mass: 569.04
• IUPAC Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
• SMILES: CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1nc(Cn2nnc(C(F)(F)F)n2)sc1-c1ccccc1Cl
• InChI: InChI=1S/C22H16Cl2F3N7O2S/c1-10-7-11(23)8-13(19(35)28-2)16(10)30-20(36)17-18(12-5-3-4-6-14(12)24)37-15(29-17)9-34-32-21(31-33-34)22(25,26)27/h3-8H,9H2,1-2H3,(H,28,35)(H,30,36)
• InChIKey: HMOLAUKYRRXIAD-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.38
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 58564382) is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1nc(Cn2nnc(C(F)(F)F)n2)sc1-c1ccccc1Cl.

What is the InChIKey of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is HMOLAUKYRRXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F3N7O2S/c1-10-7-11(23)8-13(19(35)28-2)16(10)30-20(36)17-18(12-5-3-4-6-14(12)24)37-15(29-17)9-34-32-21(31-33-34)22(25,26)27/h3-8H,9H2,1-2H3,(H,28,35)(H,30,36).

What are the key properties of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide?

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 570.38 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-5-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58564382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).