N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine

C14H9F3N2S2 — CID 79126653

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3ccccc3SC(F)F)sc2c1
InChIInChI=1S/C14H9F3N2S2/c15-8-5-6-10-12(7-8)21-14(19-10)18-9-3-1-2-4-11(9)20-13(16)17/h1-7,13H,(H,18,19)
InChIKeyTWZSKSMKMJWOSX-UHFFFAOYSA-N
MW326.37 g/mol
LogP5.49
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine

N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79126653) has the molecular formula C14H9F3N2S2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79126653
Molecular FormulaC14H9F3N2S2
Molecular Weight326.37 g/mol
Exact Mass326.02
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3ccccc3SC(F)F)sc2c1
InChIInChI=1S/C14H9F3N2S2/c15-8-5-6-10-12(7-8)21-14(19-10)18-9-3-1-2-4-11(9)20-13(16)17/h1-7,13H,(H,18,19)
InChIKeyTWZSKSMKMJWOSX-UHFFFAOYSA-N
XLogP5.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306627
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-bromo-N-[2-(difluoromethoxy)phenyl]-1,3-benzothiazol-2-amine
CID 79524981
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109952
N-(5-bromo-2-chlorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143566
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509129
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
2-N-(2-bromo-4-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55186737
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine (CID 79126653) is N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3ccccc3SC(F)F)sc2c1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is TWZSKSMKMJWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S2/c15-8-5-6-10-12(7-8)21-14(19-10)18-9-3-1-2-4-11(9)20-13(16)17/h1-7,13H,(H,18,19).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine?
N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 326.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79126653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).