(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol

C10H11NO2S — CID 130855217

IUPAC(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol
SMILESCOc1ccc2sc(N)c(CO)c2c1
InChIInChI=1S/C10H11NO2S/c1-13-6-2-3-9-7(4-6)8(5-12)10(11)14-9/h2-4,12H,5,11H2,1H3
InChIKeyFBMACMJCJVLYRS-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.98
Rot. Bonds2

About (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol

(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol (PubChem CID 130855217) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol
PubChem CID130855217
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol
SMILESCOc1ccc2sc(N)c(CO)c2c1
InChIInChI=1S/C10H11NO2S/c1-13-6-2-3-9-7(4-6)8(5-12)10(11)14-9/h2-4,12H,5,11H2,1H3
InChIKeyFBMACMJCJVLYRS-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(chloromethyl)-5-methoxy-1-benzothiophene
CID 130926294
3,5-dimethoxy-1-benzothiophen-2-ol
CID 131098457
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
3,5-dimethoxy-1-benzothiophene-2-carbothioamide
CID 139771246
5-methoxy-2,3-dimethyl-1-benzothiophene
CID 58777526
2-amino-3-ethyl-1-benzothiophen-5-ol
CID 131080497
3-amino-5-methoxy-1-benzothiophene-2-carbonitrile
CID 83819711
(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130914899
N-[[5-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114377869
4-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzothiophen-3-yl]-3,3-dimethylbutan-2-one
CID 68947763
3-bromo-2,5-dimethoxy-1-benzothiophene
CID 130866034
5-methoxy-1,2-benzothiazol-3-amine
CID 10035208

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol?
The IUPAC name of (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol (CID 130855217) is (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol is COc1ccc2sc(N)c(CO)c2c1.
What is the InChIKey of (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol?
The InChIKey is FBMACMJCJVLYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-13-6-2-3-9-7(4-6)8(5-12)10(11)14-9/h2-4,12H,5,11H2,1H3.
What are the key properties of (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol?
(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol has a molecular weight of 209.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methoxy-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130855217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).