5-fluoro-4-methoxy-1-benzothiophen-2-amine

C9H8FNOS — CID 131075976

IUPAC5-fluoro-4-methoxy-1-benzothiophen-2-amine
SMILESCOc1c(F)ccc2sc(N)cc12
InChIInChI=1S/C9H8FNOS/c1-12-9-5-4-8(11)13-7(5)3-2-6(9)10/h2-4H,11H2,1H3
InChIKeyDADWJOIHLOSKKV-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.63
Rot. Bonds1

About 5-fluoro-4-methoxy-1-benzothiophen-2-amine

5-fluoro-4-methoxy-1-benzothiophen-2-amine (PubChem CID 131075976) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-1-benzothiophen-2-amine
PubChem CID131075976
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name5-fluoro-4-methoxy-1-benzothiophen-2-amine
SMILESCOc1c(F)ccc2sc(N)cc12
InChIInChI=1S/C9H8FNOS/c1-12-9-5-4-8(11)13-7(5)3-2-6(9)10/h2-4H,11H2,1H3
InChIKeyDADWJOIHLOSKKV-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
2-fluoro-4-methoxy-5-methyl-1-benzothiophene
CID 130803509
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
6-chloro-2-fluoro-3-methoxy-1-benzothiophene
CID 130792276
2-amino-4-methylsulfanyl-1-benzothiophene-5-thiol
CID 130788782
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene
CID 130884114
2-amino-7-methoxy-1-benzothiophene-4-thiol
CID 130820839
6-fluoro-7-methoxy-1-benzothiophene-2-thiol
CID 131124415
2-amino-5-chloro-1-benzothiophen-4-ol
CID 130956293
(5-fluoro-4-methoxy-1,2-benzothiazol-3-yl)methanamine
CID 165480750

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-1-benzothiophen-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-1-benzothiophen-2-amine (CID 131075976) is 5-fluoro-4-methoxy-1-benzothiophen-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-1-benzothiophen-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-1-benzothiophen-2-amine is COc1c(F)ccc2sc(N)cc12.
What is the InChIKey of 5-fluoro-4-methoxy-1-benzothiophen-2-amine?
The InChIKey is DADWJOIHLOSKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-12-9-5-4-8(11)13-7(5)3-2-6(9)10/h2-4H,11H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-1-benzothiophen-2-amine?
5-fluoro-4-methoxy-1-benzothiophen-2-amine has a molecular weight of 197.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 131075976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).