(5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine

C9H9FN2OS — CID 165480750

IUPAC(5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine
SMILESCOc1c(F)ccc2snc(CN)c12
InChIInChI=1S/C9H9FN2OS/c1-13-9-5(10)2-3-7-8(9)6(4-11)12-14-7/h2-3H,4,11H2,1H3
InChIKeyNGWASZLTYSOKQM-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.90
Rot. Bonds2

About (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine

(5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine (PubChem CID 165480750) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine
PubChem CID165480750
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC Name(5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine
SMILESCOc1c(F)ccc2snc(CN)c12
InChIInChI=1S/C9H9FN2OS/c1-13-9-5(10)2-3-7-8(9)6(4-11)12-14-7/h2-3H,4,11H2,1H3
InChIKeyNGWASZLTYSOKQM-UHFFFAOYSA-N
XLogP1.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
5-fluoro-4-methoxy-1-benzothiophen-2-amine
CID 131075976
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575
(3-fluoro-6-methyl-2-pyridinyl)methanamine;hydrochloride
CID 53395629
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
(3-fluoro-5-iodo-4-methoxyphenyl)methanamine
CID 171010748
(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
CID 124505252
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine?
The IUPAC name of (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine (CID 165480750) is (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine?
The canonical SMILES for (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine is COc1c(F)ccc2snc(CN)c12.
What is the InChIKey of (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine?
The InChIKey is NGWASZLTYSOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c1-13-9-5(10)2-3-7-8(9)6(4-11)12-14-7/h2-3H,4,11H2,1H3.
What are the key properties of (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine?
(5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine has a molecular weight of 212.25 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine is sourced from PubChem (CID 165480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).