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

C13H11F3N6OS — CID 90653066

IUPACN-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3ncc[nH]3)cs2)n1
InChIInChI=1S/C13H11F3N6OS/c1-7-4-9(13(14,15)16)22(21-7)12-20-8(6-24-12)11(23)19-5-10-17-2-3-18-10/h2-4,6H,5H2,1H3,(H,17,18)(H,19,23)
InChIKeyFNVAGWHHOBFDLH-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.31
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 90653066) has the molecular formula C13H11F3N6OS and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID90653066
Molecular FormulaC13H11F3N6OS
Molecular Weight356.33 g/mol
Exact Mass356.07
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3ncc[nH]3)cs2)n1
InChIInChI=1S/C13H11F3N6OS/c1-7-4-9(13(14,15)16)22(21-7)12-20-8(6-24-12)11(23)19-5-10-17-2-3-18-10/h2-4,6H,5H2,1H3,(H,17,18)(H,19,23)
InChIKeyFNVAGWHHOBFDLH-UHFFFAOYSA-N
XLogP2.31
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-[(2-isopropyl-1H-imidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42514288
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-[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
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-4H-1,2,4-triazol-4-yl-1,3-thiazole-4-carboxamide
CID 56866135
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
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 74250606
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 91838152

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 90653066) is N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3ncc[nH]3)cs2)n1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FNVAGWHHOBFDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6OS/c1-7-4-9(13(14,15)16)22(21-7)12-20-8(6-24-12)11(23)19-5-10-17-2-3-18-10/h2-4,6H,5H2,1H3,(H,17,18)(H,19,23).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90653066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).