(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C14H12F3NOS — CID 106782418

IUPAC(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)c1ccc(C(=O)c2cnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C14H12F3NOS/c1-8(2)9-3-5-10(6-4-9)12(19)11-7-18-13(20-11)14(15,16)17/h3-8H,1-2H3
InChIKeyHLVHVRNLKWHLGB-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.52
Rot. Bonds3

About (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106782418) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106782418
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Name(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCC(C)c1ccc(C(=O)c2cnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C14H12F3NOS/c1-8(2)9-3-5-10(6-4-9)12(19)11-7-18-13(20-11)14(15,16)17/h3-8H,1-2H3
InChIKeyHLVHVRNLKWHLGB-UHFFFAOYSA-N
XLogP4.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782470
(2,6-dimethyl-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 107502611
(3-chlorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782419
3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106782430
(3-methoxyphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782410
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255
1,2,3,4-tetrahydroquinolin-6-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784642
(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 114030007
copper 4-propan-2-ylbenzoic acid
CID 54605006
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106782418) is (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is CC(C)c1ccc(C(=O)c2cnc(C(F)(F)F)s2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is HLVHVRNLKWHLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-8(2)9-3-5-10(6-4-9)12(19)11-7-18-13(20-11)14(15,16)17/h3-8H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 299.32 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106782418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).