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

C15H14F3NOS — CID 68765243

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1nc(C)c(C(=O)CCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H14F3NOS/c1-9-14(21-10(2)19-9)13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7H,5,8H2,1-2H3
InChIKeyNEPVWCQYWNBRGI-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.59
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 68765243) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID68765243
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCc1nc(C)c(C(=O)CCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C15H14F3NOS/c1-9-14(21-10(2)19-9)13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7H,5,8H2,1-2H3
InChIKeyNEPVWCQYWNBRGI-UHFFFAOYSA-N
XLogP4.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 68765243) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is Cc1nc(C)c(C(=O)CCc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is NEPVWCQYWNBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c1-9-14(21-10(2)19-9)13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7H,5,8H2,1-2H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 313.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 68765243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).