4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole

C10H8F3NS — CID 84626504

IUPAC4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole
SMILESCc1cc(C)c2nc(C(F)(F)F)sc2c1
InChIInChI=1S/C10H8F3NS/c1-5-3-6(2)8-7(4-5)15-9(14-8)10(11,12)13/h3-4H,1-2H3
InChIKeyGYKCIOKIPONCCB-UHFFFAOYSA-N
MW231.24 g/mol
LogP3.93
Rot. Bonds

About 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole

4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 84626504) has the molecular formula C10H8F3NS and a molecular weight of 231.24 g/mol. Its IUPAC name is 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole
PubChem CID84626504
Molecular FormulaC10H8F3NS
Molecular Weight231.24 g/mol
Exact Mass231.03
IUPAC Name4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole
SMILESCc1cc(C)c2nc(C(F)(F)F)sc2c1
InChIInChI=1S/C10H8F3NS/c1-5-3-6(2)8-7(4-5)15-9(14-8)10(11,12)13/h3-4H,1-2H3
InChIKeyGYKCIOKIPONCCB-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(trifluoromethyl)furo[3,2-e][1,3]benzothiazole
CID 59782187
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-benzothiazole
CID 121083588
2,2,2-trifluoroethyl N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]carbamate
CID 60582436
2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
CID 57387521
6-fluoro-2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid
CID 150908272
2-(3,4-dimethoxyphenyl)-4,6-dimethyl-1,3-benzothiazole
CID 95909841
2-(2-chloro-5-iodophenyl)-4,6-dimethyl-1,3-benzothiazole
CID 95909837
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethanol
CID 605706

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole (CID 84626504) is 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole is Cc1cc(C)c2nc(C(F)(F)F)sc2c1.
What is the InChIKey of 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is GYKCIOKIPONCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NS/c1-5-3-6(2)8-7(4-5)15-9(14-8)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole?
4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 231.24 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 84626504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).