(2-amino-4-methyl-1-benzothiophen-5-yl)methanol

C10H11NOS — CID 130788758

IUPAC(2-amino-4-methyl-1-benzothiophen-5-yl)methanol
SMILESCc1c(CO)ccc2sc(N)cc12
InChIInChI=1S/C10H11NOS/c1-6-7(5-12)2-3-9-8(6)4-10(11)13-9/h2-4,12H,5,11H2,1H3
InChIKeyNDCYREZMMZSSSJ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.28
Rot. Bonds1

About (2-amino-4-methyl-1-benzothiophen-5-yl)methanol

(2-amino-4-methyl-1-benzothiophen-5-yl)methanol (PubChem CID 130788758) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (2-amino-4-methyl-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-methyl-1-benzothiophen-5-yl)methanol
PubChem CID130788758
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(2-amino-4-methyl-1-benzothiophen-5-yl)methanol
SMILESCc1c(CO)ccc2sc(N)cc12
InChIInChI=1S/C10H11NOS/c1-6-7(5-12)2-3-9-8(6)4-10(11)13-9/h2-4,12H,5,11H2,1H3
InChIKeyNDCYREZMMZSSSJ-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-4-methyl-1-benzothiophen-5-yl)methanol?
The IUPAC name of (2-amino-4-methyl-1-benzothiophen-5-yl)methanol (CID 130788758) is (2-amino-4-methyl-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (2-amino-4-methyl-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (2-amino-4-methyl-1-benzothiophen-5-yl)methanol is Cc1c(CO)ccc2sc(N)cc12.
What is the InChIKey of (2-amino-4-methyl-1-benzothiophen-5-yl)methanol?
The InChIKey is NDCYREZMMZSSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-7(5-12)2-3-9-8(6)4-10(11)13-9/h2-4,12H,5,11H2,1H3.
What are the key properties of (2-amino-4-methyl-1-benzothiophen-5-yl)methanol?
(2-amino-4-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-4-methyl-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130788758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).