6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine

C12H8FN3S — CID 79144359

IUPAC6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3cccnc3)sc2c1
InChIInChI=1S/C12H8FN3S/c13-8-3-4-10-11(6-8)17-12(16-10)15-9-2-1-5-14-7-9/h1-7H,(H,15,16)
InChIKeyFWWVPTBCLYGRBM-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.57
Rot. Bonds2

About 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine

6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine (PubChem CID 79144359) has the molecular formula C12H8FN3S and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
PubChem CID79144359
Molecular FormulaC12H8FN3S
Molecular Weight245.28 g/mol
Exact Mass245.04
IUPAC Name6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3cccnc3)sc2c1
InChIInChI=1S/C12H8FN3S/c13-8-3-4-10-11(6-8)17-12(16-10)15-9-2-1-5-14-7-9/h1-7H,(H,15,16)
InChIKeyFWWVPTBCLYGRBM-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 79143632
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
6-fluoro-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 166264277
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109952
4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
CID 7147094
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
N-[2-(difluoromethylsulfanyl)phenyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 79126653
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
6-bromo-N-(5-bromo-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 114222809
N-(4-fluorophenyl)-6-nitro-1,3-benzothiazol-2-amine
CID 56575673

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine (CID 79144359) is 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3cccnc3)sc2c1.
What is the InChIKey of 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine?
The InChIKey is FWWVPTBCLYGRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S/c13-8-3-4-10-11(6-8)17-12(16-10)15-9-2-1-5-14-7-9/h1-7H,(H,15,16).
What are the key properties of 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine?
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine has a molecular weight of 245.28 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79144359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).