2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole

C11H8F3NS — CID 101499141

IUPAC2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1cccc(C(F)(F)F)c1-c1nccs1
InChIInChI=1S/C11H8F3NS/c1-7-3-2-4-8(11(12,13)14)9(7)10-15-5-6-16-10/h2-6H,1H3
InChIKeyVEOOQJAJYODBGY-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.14
Rot. Bonds1

About 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole

2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 101499141) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID101499141
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1cccc(C(F)(F)F)c1-c1nccs1
InChIInChI=1S/C11H8F3NS/c1-7-3-2-4-8(11(12,13)14)9(7)10-15-5-6-16-10/h2-6H,1H3
InChIKeyVEOOQJAJYODBGY-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
2-Phenylthiazole
CID 547494
(R)-N,N-dimethyl-2-(3-(1-(thiazol-2-yl)ethyl)-1H-inden-2-yl)ethanamine
CID 46884666
(R)-2-(6-fluoro-3-(1-(thiazol-2-yl)ethyl)-1H-inden-2-yl)-N,N-dimethylethanamine
CID 46884735
2-Benzyl-1,3-thiazole
CID 21183829
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
(R)-N,N-dimethyl-2-(6-methyl-3-(1-(thiazol-2-yl)ethyl)-1H-inden-2-yl)ethanamine
CID 46884736
3-Benzylthiazolium Bromide
CID 11608558
1-Naphthalenylthiazole
CID 15532487
N-Methyl-4-(1,3-thiazol-2-yl)benzylamine
CID 18525747
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 134793893
N-methyl-N-(1,3-thiazol-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 134793971

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole (CID 101499141) is 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1cccc(C(F)(F)F)c1-c1nccs1.
What is the InChIKey of 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is VEOOQJAJYODBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c1-7-3-2-4-8(11(12,13)14)9(7)10-15-5-6-16-10/h2-6H,1H3.
What are the key properties of 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole?
2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 243.25 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 101499141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).