6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

C13H10FN3OS — CID 79143632

IUPAC6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(F)cc3s2)cn1
InChIInChI=1S/C13H10FN3OS/c1-18-12-5-3-9(7-15-12)16-13-17-10-4-2-8(14)6-11(10)19-13/h2-7H,1H3,(H,16,17)
InChIKeyWZCNHCRPQLHFTJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.58
Rot. Bonds3

About 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine

6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 79143632) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID79143632
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(F)cc3s2)cn1
InChIInChI=1S/C13H10FN3OS/c1-18-12-5-3-9(7-15-12)16-13-17-10-4-2-8(14)6-11(10)19-13/h2-7H,1H3,(H,16,17)
InChIKeyWZCNHCRPQLHFTJ-UHFFFAOYSA-N
XLogP3.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 104638730
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
CID 7147094
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 54612749
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142176

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 79143632) is 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3ccc(F)cc3s2)cn1.
What is the InChIKey of 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is WZCNHCRPQLHFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-18-12-5-3-9(7-15-12)16-13-17-10-4-2-8(14)6-11(10)19-13/h2-7H,1H3,(H,16,17).
What are the key properties of 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(6-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79143632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).