1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one

C14H13F3N2OS — CID 90750228

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCc1nc(CC(=O)Cc2ccc(C(F)(F)F)nc2)sc1C
InChIInChI=1S/C14H13F3N2OS/c1-8-9(2)21-13(19-8)6-11(20)5-10-3-4-12(18-7-10)14(15,16)17/h3-4,7H,5-6H2,1-2H3
InChIKeyNVNKQAGUBLYIOU-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.53
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 90750228) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID90750228
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCc1nc(CC(=O)Cc2ccc(C(F)(F)F)nc2)sc1C
InChIInChI=1S/C14H13F3N2OS/c1-8-9(2)21-13(19-8)6-11(20)5-10-3-4-12(18-7-10)14(15,16)17/h3-4,7H,5-6H2,1-2H3
InChIKeyNVNKQAGUBLYIOU-UHFFFAOYSA-N
XLogP3.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one with MolForge

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Related Compounds

2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 91262595
17-oxo-18-[6-(trifluoromethyl)-3-pyridinyl]octadecanoic acid
CID 158712353
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
2,2-difluoro-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738078
2-(6-tert-butyl-3-pyridinyl)acetic acid
CID 58436565
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549
2-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-1,3-thiazole-5-carbaldehyde
CID 58259133
methyl (3S)-3-[[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]butanoate
CID 166258109
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105120821

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 90750228) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one is Cc1nc(CC(=O)Cc2ccc(C(F)(F)F)nc2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is NVNKQAGUBLYIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-8-9(2)21-13(19-8)6-11(20)5-10-3-4-12(18-7-10)14(15,16)17/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 314.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 90750228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).