(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C12H7ClF3NOS — CID 106865255

IUPAC(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2cnc(C(F)(F)F)s2)c(Cl)c1
InChIInChI=1S/C12H7ClF3NOS/c1-6-2-3-7(8(13)4-6)10(18)9-5-17-11(19-9)12(14,15)16/h2-5H,1H3
InChIKeyOFDKXKUJCYUTPC-UHFFFAOYSA-N
MW305.71 g/mol
LogP4.35
Rot. Bonds2

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

(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106865255) has the molecular formula C12H7ClF3NOS and a molecular weight of 305.71 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106865255
Molecular FormulaC12H7ClF3NOS
Molecular Weight305.71 g/mol
Exact Mass304.99
IUPAC Name(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1ccc(C(=O)c2cnc(C(F)(F)F)s2)c(Cl)c1
InChIInChI=1S/C12H7ClF3NOS/c1-6-2-3-7(8(13)4-6)10(18)9-5-17-11(19-9)12(14,15)16/h2-5H,1H3
InChIKeyOFDKXKUJCYUTPC-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.71
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-iodophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 114030007
(2-bromo-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106785011
(3-fluoro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782609
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(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
(4-propan-2-ylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782418
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784897
3-(4-methylphenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784958
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
[2-[2-(methylamino)ethyl]phenyl]-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784813
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
CID 106864959

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106865255) is (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is Cc1ccc(C(=O)c2cnc(C(F)(F)F)s2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is OFDKXKUJCYUTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NOS/c1-6-2-3-7(8(13)4-6)10(18)9-5-17-11(19-9)12(14,15)16/h2-5H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 305.71 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106865255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).