2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide

C16H15F3N6OS — CID 56741061

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cnc4n3CCCC4)cs2)n1
InChIInChI=1S/C16H15F3N6OS/c1-9-6-11(16(17,18)19)25(23-9)15-21-10(8-27-15)14(26)22-13-7-20-12-4-2-3-5-24(12)13/h6-8H,2-5H2,1H3,(H,22,26)
InChIKeyYDKADYUDGWJFJK-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.44
Rot. Bonds3

About 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 56741061) has the molecular formula C16H15F3N6OS and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID56741061
Molecular FormulaC16H15F3N6OS
Molecular Weight396.40 g/mol
Exact Mass396.10
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cnc4n3CCCC4)cs2)n1
InChIInChI=1S/C16H15F3N6OS/c1-9-6-11(16(17,18)19)25(23-9)15-21-10(8-27-15)14(26)22-13-7-20-12-4-2-3-5-24(12)13/h6-8H,2-5H2,1H3,(H,22,26)
InChIKeyYDKADYUDGWJFJK-UHFFFAOYSA-N
XLogP3.44
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 131898205
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 135093167
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 57428513
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 71526134
N-(4,5-diethyl-1,3-thiazol-2-yl)-6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 145564913
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 1481771
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 24672553
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31519764
[2-[5-Propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 46955710
[2-[5-Ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 46955727
N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70758139
5-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72859912

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide (CID 56741061) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cnc4n3CCCC4)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YDKADYUDGWJFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6OS/c1-9-6-11(16(17,18)19)25(23-9)15-21-10(8-27-15)14(26)22-13-7-20-12-4-2-3-5-24(12)13/h6-8H,2-5H2,1H3,(H,22,26).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56741061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).