N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

C16H15F3N6OS — CID 119060339

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3cncn3C3CC3)cs2)n1
InChIInChI=1S/C16H15F3N6OS/c1-9-4-13(16(17,18)19)25(23-9)15-22-12(7-27-15)14(26)21-6-11-5-20-8-24(11)10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H,21,26)
InChIKeyLJZGXHJLSLKERD-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.12
Rot. Bonds5

About N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 119060339) has the molecular formula C16H15F3N6OS and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID119060339
Molecular FormulaC16H15F3N6OS
Molecular Weight396.40 g/mol
Exact Mass396.10
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3cncn3C3CC3)cs2)n1
InChIInChI=1S/C16H15F3N6OS/c1-9-4-13(16(17,18)19)25(23-9)15-22-12(7-27-15)14(26)21-6-11-5-20-8-24(11)10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H,21,26)
InChIKeyLJZGXHJLSLKERD-UHFFFAOYSA-N
XLogP3.12
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 119060339) is N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3cncn3C3CC3)cs2)n1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LJZGXHJLSLKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6OS/c1-9-4-13(16(17,18)19)25(23-9)15-22-12(7-27-15)14(26)21-6-11-5-20-8-24(11)10-2-3-10/h4-5,7-8,10H,2-3,6H2,1H3,(H,21,26).
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119060339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).