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

C18H21F3N6OS — CID 131898205

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCCn3ccnc3C(C)C)cs2)n1
InChIInChI=1S/C18H21F3N6OS/c1-11(2)15-22-6-8-26(15)7-4-5-23-16(28)13-10-29-17(24-13)27-14(18(19,20)21)9-12(3)25-27/h6,8-11H,4-5,7H2,1-3H3,(H,23,28)
InChIKeyHRJGRGLJXUPTBQ-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.80
Rot. Bonds7

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

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 131898205) has the molecular formula C18H21F3N6OS and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID131898205
Molecular FormulaC18H21F3N6OS
Molecular Weight426.47 g/mol
Exact Mass426.14
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCCn3ccnc3C(C)C)cs2)n1
InChIInChI=1S/C18H21F3N6OS/c1-11(2)15-22-6-8-26(15)7-4-5-23-16(28)13-10-29-17(24-13)27-14(18(19,20)21)9-12(3)25-27/h6,8-11H,4-5,7H2,1-3H3,(H,23,28)
InChIKeyHRJGRGLJXUPTBQ-UHFFFAOYSA-N
XLogP3.80
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
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
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-(1H-imidazol-2-ylmethyl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 90653066
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
N-[(2S)-2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97941076

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 131898205) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCCCn3ccnc3C(C)C)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HRJGRGLJXUPTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6OS/c1-11(2)15-22-6-8-26(15)7-4-5-23-16(28)13-10-29-17(24-13)27-14(18(19,20)21)9-12(3)25-27/h6,8-11H,4-5,7H2,1-3H3,(H,23,28).
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.80, 7 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-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131898205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).