2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole

C8H6F3NS — CID 23043709

IUPAC2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole
SMILESFC(F)(F)C1Nc2ccccc2S1
InChIInChI=1S/C8H6F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7,12H
InChIKeyYYNGFCHUMUFXHS-UHFFFAOYSA-N
MW205.20 g/mol
LogP3.09
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole

2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 23043709) has the molecular formula C8H6F3NS and a molecular weight of 205.20 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole
PubChem CID23043709
Molecular FormulaC8H6F3NS
Molecular Weight205.20 g/mol
Exact Mass205.02
IUPAC Name2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole
SMILESFC(F)(F)C1Nc2ccccc2S1
InChIInChI=1S/C8H6F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7,12H
InChIKeyYYNGFCHUMUFXHS-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydrobenzo[d]thiazole-2-thiol
CID 3266369
2,3,4,5-Tetrahydro-1,5-benzothiazepine
CID 93963
2,2-Pentamethylenebenzothiazoline
CID 352218
2(3H)-Benzothiazolethione, compd. with N-butyl-1-butanamine (1:1)
CID 3034709
2(3H)-Benzothiazolethione, compd. with N,N-diethylethanamine (1:1)
CID 3034710
2(3H)-Benzothiazolethione, compd. with N-ethylethanamine (1:1)
CID 3036970
2,3-Dihydro-1,3-benzothiazol-2-amine
CID 14118883
2-Methylsulfanyl-2,3-dihydro-1,3-benzothiazole
CID 18707293
2,3-Dihydro-1,3-benzothiazol-2-ol
CID 20228709
6-Fluoro-2-mercaptobenzothiazole
CID 2737353
5-Fluoro-2-mercaptobenzothiazole
CID 2774531
1,5-Benzothiazepine, 2,3,4,5-tetrahydro-, hydrochloride
CID 93962

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole (CID 23043709) is 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole is FC(F)(F)C1Nc2ccccc2S1.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is YYNGFCHUMUFXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NS/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4,7,12H.
What are the key properties of 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole?
2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 205.20 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 23043709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).