(4-amino-7-methyl-1-benzothiophen-5-yl)methanol

C10H11NOS — CID 130956430

IUPAC(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
SMILESCc1cc(CO)c(N)c2ccsc12
InChIInChI=1S/C10H11NOS/c1-6-4-7(5-12)9(11)8-2-3-13-10(6)8/h2-4,12H,5,11H2,1H3
InChIKeyYCXAWUGJOSKWKP-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.28
Rot. Bonds1

About (4-amino-7-methyl-1-benzothiophen-5-yl)methanol

(4-amino-7-methyl-1-benzothiophen-5-yl)methanol (PubChem CID 130956430) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (4-amino-7-methyl-1-benzothiophen-5-yl)methanol.

Molecular Properties

Compound Name(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
PubChem CID130956430
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
SMILESCc1cc(CO)c(N)c2ccsc12
InChIInChI=1S/C10H11NOS/c1-6-4-7(5-12)9(11)8-2-3-13-10(6)8/h2-4,12H,5,11H2,1H3
InChIKeyYCXAWUGJOSKWKP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-amino-7-(chloromethyl)-1-benzothiophen-5-yl]methanol
CID 130803466
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
(5-fluoro-4-methyl-1-benzothiophen-7-yl)methanol
CID 130987115
7-(hydroxymethyl)-5-methyl-1-benzothiophene-4-carbonitrile
CID 130961053
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
(4-methyl-7-sulfanyl-1-benzothiophen-5-yl)methanol
CID 130899140
4,5,7-trimethyl-1-benzothiophene
CID 59646225
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
(7-fluoro-4-methoxy-1-benzothiophen-5-yl)methanol
CID 131000571

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-methyl-1-benzothiophen-5-yl)methanol?
The IUPAC name of (4-amino-7-methyl-1-benzothiophen-5-yl)methanol (CID 130956430) is (4-amino-7-methyl-1-benzothiophen-5-yl)methanol.
What is the SMILES notation for (4-amino-7-methyl-1-benzothiophen-5-yl)methanol?
The canonical SMILES for (4-amino-7-methyl-1-benzothiophen-5-yl)methanol is Cc1cc(CO)c(N)c2ccsc12.
What is the InChIKey of (4-amino-7-methyl-1-benzothiophen-5-yl)methanol?
The InChIKey is YCXAWUGJOSKWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-4-7(5-12)9(11)8-2-3-13-10(6)8/h2-4,12H,5,11H2,1H3.
What are the key properties of (4-amino-7-methyl-1-benzothiophen-5-yl)methanol?
(4-amino-7-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 (4-amino-7-methyl-1-benzothiophen-5-yl)methanol is sourced from PubChem (CID 130956430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).