1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide

C17H15F3N4OS — CID 71071195

IUPAC1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)c1nccn1C
InChIInChI=1S/C17H15F3N4OS/c1-10-16(23-15(25)14-21-6-7-24(14)2)26-13(22-10)9-11-4-3-5-12(8-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,23,25)
InChIKeyYVXWMOQWVUOKSQ-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.05
Rot. Bonds4

About 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide

1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide (PubChem CID 71071195) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide
PubChem CID71071195
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)c1nccn1C
InChIInChI=1S/C17H15F3N4OS/c1-10-16(23-15(25)14-21-6-7-24(14)2)26-13(22-10)9-11-4-3-5-12(8-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,23,25)
InChIKeyYVXWMOQWVUOKSQ-UHFFFAOYSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide (CID 71071195) is 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide is Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)c1nccn1C.
What is the InChIKey of 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide?
The InChIKey is YVXWMOQWVUOKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-10-16(23-15(25)14-21-6-7-24(14)2)26-13(22-10)9-11-4-3-5-12(8-11)17(18,19)20/h3-8H,9H2,1-2H3,(H,23,25).
What are the key properties of 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide?
1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]imidazole-2-carboxamide is sourced from PubChem (CID 71071195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).