[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C15H13F3N6OS — CID 72859912

IUPAC[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCc4nc[nH]c4C3)cs2)n1
InChIInChI=1S/C15H13F3N6OS/c1-8-4-12(15(16,17)18)24(22-8)14-21-11(6-26-14)13(25)23-3-2-9-10(5-23)20-7-19-9/h4,6-7H,2-3,5H2,1H3,(H,19,20)
InChIKeyRKKOUWHIHTWTFT-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.58
Rot. Bonds2

About [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72859912) has the molecular formula C15H13F3N6OS and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72859912
Molecular FormulaC15H13F3N6OS
Molecular Weight382.37 g/mol
Exact Mass382.08
IUPAC Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCc4nc[nH]c4C3)cs2)n1
InChIInChI=1S/C15H13F3N6OS/c1-8-4-12(15(16,17)18)24(22-8)14-21-11(6-26-14)13(25)23-3-2-9-10(5-23)20-7-19-9/h4,6-7H,2-3,5H2,1H3,(H,19,20)
InChIKeyRKKOUWHIHTWTFT-UHFFFAOYSA-N
XLogP2.58
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 71802111
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
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
[2-[5-Ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 46955727
N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 90653066
[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 92588869
[(2R)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 92588870
4-{2-[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-1-carbonyl}-1,3-thiazole
CID 110222467
N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 119060339
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)ethyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 119067155
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(1H-1,2,3-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119068720

Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72859912) is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCc4nc[nH]c4C3)cs2)n1.
What is the InChIKey of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is RKKOUWHIHTWTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6OS/c1-8-4-12(15(16,17)18)24(22-8)14-21-11(6-26-14)13(25)23-3-2-9-10(5-23)20-7-19-9/h4,6-7H,2-3,5H2,1H3,(H,19,20).
What are the key properties of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 382.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72859912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).