6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine

C14H11FN2OS — CID 7086355

IUPAC6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C14H11FN2OS/c1-18-11-5-3-10(4-6-11)16-14-17-12-7-2-9(15)8-13(12)19-14/h2-8H,1H3,(H,16,17)
InChIKeyPZSHFIWAHMBJST-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.19
Rot. Bonds3

About 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine

6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 7086355) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID7086355
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(F)cc3s2)cc1
InChIInChI=1S/C14H11FN2OS/c1-18-11-5-3-10(4-6-11)16-14-17-12-7-2-9(15)8-13(12)19-14/h2-8H,1H3,(H,16,17)
InChIKeyPZSHFIWAHMBJST-UHFFFAOYSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.19
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
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
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-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 54612749
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
CID 7147094
N-(3-bromo-5-methoxyphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 82860896
5-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110023
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine (CID 7086355) is 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3ccc(F)cc3s2)cc1.
What is the InChIKey of 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is PZSHFIWAHMBJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c1-18-11-5-3-10(4-6-11)16-14-17-12-7-2-9(15)8-13(12)19-14/h2-8H,1H3,(H,16,17).
What are the key properties of 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 274.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7086355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).