2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole

C11H8F3NS — CID 166636791

IUPAC2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole
SMILESFC(F)(F)C1(c2nc3ccccc3s2)CC1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)10(5-6-10)9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6H2
InChIKeyFOMVIWSSENMFPZ-UHFFFAOYSA-N
MW243.25 g/mol
LogP3.89
Rot. Bonds1

About 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole

2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole (PubChem CID 166636791) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole
PubChem CID166636791
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole
SMILESFC(F)(F)C1(c2nc3ccccc3s2)CC1
InChIInChI=1S/C11H8F3NS/c12-11(13,14)10(5-6-10)9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6H2
InChIKeyFOMVIWSSENMFPZ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[[1-(1,3-benzothiazol-2-yl)cyclopropyl]methyl]hydroxylamine
CID 165437924
3-(1,3-benzothiazol-2-yl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 134128343
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-1,3-benzothiazole
CID 10881727
6-methoxy-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,3-benzothiazole
CID 79511726
methyl 4-(1,3-benzothiazol-2-yl)bicyclo[2.2.2]octane-1-carboxylate
CID 154684150
1-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 141093200
1-(1,3-benzothiazol-2-yl)-4-methylidenecyclohexa-2,5-dien-1-ol
CID 58759766
2-(1-chloro-2,2,2-trifluoroethyl)sulfanyl-1,3-benzothiazole
CID 73427431
2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 1214783
2-(1,3-benzothiazol-2-yl)-2,2-difluoroacetic acid
CID 71758128
(1S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
CID 9267878
4-(1,3-benzothiazol-2-yl)-4,4-difluorobutanoic acid
CID 83854965

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole (CID 166636791) is 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole is FC(F)(F)C1(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole?
The InChIKey is FOMVIWSSENMFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c12-11(13,14)10(5-6-10)9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6H2.
What are the key properties of 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole?
2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole has a molecular weight of 243.25 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclopropyl]-1,3-benzothiazole is sourced from PubChem (CID 166636791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).