(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone

C15H15F3N4OS — CID 119063578

IUPAC(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCC1=CCN(C(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)CC1
InChIInChI=1S/C15H15F3N4OS/c1-9-3-5-21(6-4-9)13(23)11-8-24-14(19-11)22-12(15(16,17)18)7-10(2)20-22/h3,7-8H,4-6H2,1-2H3
InChIKeyCOQMISXQPCJOCC-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.45
Rot. Bonds2

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

(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone (PubChem CID 119063578) has the molecular formula C15H15F3N4OS and a molecular weight of 356.37 g/mol. Its IUPAC name is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
PubChem CID119063578
Molecular FormulaC15H15F3N4OS
Molecular Weight356.37 g/mol
Exact Mass356.09
IUPAC Name(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCC1=CCN(C(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)CC1
InChIInChI=1S/C15H15F3N4OS/c1-9-3-5-21(6-4-9)13(23)11-8-24-14(19-11)22-12(15(16,17)18)7-10(2)20-22/h3,7-8H,4-6H2,1-2H3
InChIKeyCOQMISXQPCJOCC-UHFFFAOYSA-N
XLogP3.45
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1497062
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-(3,5-dimethylpyrazol-1-yl)-N-(2-piperidin-1-ylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 46969398
4-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,4-oxazepan-6-ol
CID 70760304
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
2-[Methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 67254023
Ethyl 2-[methyl-[2-[methyl-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]amino]-1,3-thiazole-4-carboxylate
CID 135033847
1-{5-methyl-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-1-ethanone
CID 1485649
(3,5-Dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
CID 5018592
3-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CID 17038883
rel-(1S,6R)-3-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-3,9-diazabicyclo[4.2.1]nonane hydrochloride
CID 50982189
(3S*,4S*)-1-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)piperidine-3,4-diol
CID 56897645

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone (CID 119063578) is (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone is CC1=CCN(C(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)CC1.
What is the InChIKey of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
The InChIKey is COQMISXQPCJOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4OS/c1-9-3-5-21(6-4-9)13(23)11-8-24-14(19-11)22-12(15(16,17)18)7-10(2)20-22/h3,7-8H,4-6H2,1-2H3.
What are the key properties of (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone?
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone has a molecular weight of 356.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 119063578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).