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

C10H11NOS — CID 130788757

IUPAC(2-amino-3-methyl-1-benzothiophen-5-yl)methanol
SMILESCc1c(N)sc2ccc(CO)cc12
InChIInChI=1S/C10H11NOS/c1-6-8-4-7(5-12)2-3-9(8)13-10(6)11/h2-4,12H,5,11H2,1H3
InChIKeyNPEWCYDUIPDSQA-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.28
Rot. Bonds1

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

(2-amino-3-methyl-1-benzothiophen-5-yl)methanol (PubChem CID 130788757) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (2-amino-3-methyl-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-methyl-1-benzothiophen-5-yl)methanol
PubChem CID130788757
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(2-amino-3-methyl-1-benzothiophen-5-yl)methanol
SMILESCc1c(N)sc2ccc(CO)cc12
InChIInChI=1S/C10H11NOS/c1-6-8-4-7(5-12)2-3-9(8)13-10(6)11/h2-4,12H,5,11H2,1H3
InChIKeyNPEWCYDUIPDSQA-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methyl-1-benzothiophen-5-yl)methanol?
The IUPAC name of (2-amino-3-methyl-1-benzothiophen-5-yl)methanol (CID 130788757) is (2-amino-3-methyl-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (2-amino-3-methyl-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (2-amino-3-methyl-1-benzothiophen-5-yl)methanol is Cc1c(N)sc2ccc(CO)cc12.
What is the InChIKey of (2-amino-3-methyl-1-benzothiophen-5-yl)methanol?
The InChIKey is NPEWCYDUIPDSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-8-4-7(5-12)2-3-9(8)13-10(6)11/h2-4,12H,5,11H2,1H3.
What are the key properties of (2-amino-3-methyl-1-benzothiophen-5-yl)methanol?
(2-amino-3-methyl-1-benzothiophen-5-yl)methanol has a molecular weight of 193.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methyl-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130788757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).