6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole

C15H10F3NS — CID 126550023

IUPAC6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C15H10F3NS/c1-9-2-7-12-13(8-9)20-14(19-12)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3
InChIKeyKSYRUGBGLVQXKC-UHFFFAOYSA-N
MW293.31 g/mol
LogP5.29
Rot. Bonds1

About 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole

6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole (PubChem CID 126550023) has the molecular formula C15H10F3NS and a molecular weight of 293.31 g/mol. Its IUPAC name is 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
PubChem CID126550023
Molecular FormulaC15H10F3NS
Molecular Weight293.31 g/mol
Exact Mass293.05
IUPAC Name6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C15H10F3NS/c1-9-2-7-12-13(8-9)20-14(19-12)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3
InChIKeyKSYRUGBGLVQXKC-UHFFFAOYSA-N
XLogP5.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.31
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[4-[6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850249
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
ethane;2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-amine
CID 144945336
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
2-[4-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-methyl-1,3-benzothiazole
CID 58342050
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 50849900
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[4-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2197901
3-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 61235672
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1126404

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole (CID 126550023) is 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole is Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1.
What is the InChIKey of 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
The InChIKey is KSYRUGBGLVQXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NS/c1-9-2-7-12-13(8-9)20-14(19-12)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole?
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole has a molecular weight of 293.31 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole is sourced from PubChem (CID 126550023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).