(3-aminothiophen-2-yl)methanol

C5H7NOS — CID 19002848

IUPAC(3-aminothiophen-2-yl)methanol
SMILESNc1ccsc1CO
InChIInChI=1S/C5H7NOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3,6H2
InChIKeyOWSDIEUZWGLGAG-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.82
Rot. Bonds1

About (3-aminothiophen-2-yl)methanol

(3-aminothiophen-2-yl)methanol (PubChem CID 19002848) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)methanol
PubChem CID19002848
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name(3-aminothiophen-2-yl)methanol
SMILESNc1ccsc1CO
InChIInChI=1S/C5H7NOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3,6H2
InChIKeyOWSDIEUZWGLGAG-UHFFFAOYSA-N
XLogP0.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)methanol?
The IUPAC name of (3-aminothiophen-2-yl)methanol (CID 19002848) is (3-aminothiophen-2-yl)methanol.
What is the SMILES notation for (3-aminothiophen-2-yl)methanol?
The canonical SMILES for (3-aminothiophen-2-yl)methanol is Nc1ccsc1CO.
What is the InChIKey of (3-aminothiophen-2-yl)methanol?
The InChIKey is OWSDIEUZWGLGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3,6H2.
What are the key properties of (3-aminothiophen-2-yl)methanol?
(3-aminothiophen-2-yl)methanol has a molecular weight of 129.18 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)methanol is sourced from PubChem (CID 19002848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).