5-(aminomethyl)thiophene-3-carboxamide;hydrochloride

C6H9ClN2OS — CID 163226135

IUPAC5-(aminomethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.NCc1cc(C(N)=O)cs1
InChIInChI=1S/C6H8N2OS.ClH/c7-2-5-1-4(3-10-5)6(8)9;/h1,3H,2,7H2,(H2,8,9);1H
InChIKeyCDQUVEWUDCTJBV-UHFFFAOYSA-N
MW192.67 g/mol
LogP0.73
Rot. Bonds2

About 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride

5-(aminomethyl)thiophene-3-carboxamide;hydrochloride (PubChem CID 163226135) has the molecular formula C6H9ClN2OS and a molecular weight of 192.67 g/mol. Its IUPAC name is 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)thiophene-3-carboxamide;hydrochloride
PubChem CID163226135
Molecular FormulaC6H9ClN2OS
Molecular Weight192.67 g/mol
Exact Mass192.01
IUPAC Name5-(aminomethyl)thiophene-3-carboxamide;hydrochloride
SMILESCl.NCc1cc(C(N)=O)cs1
InChIInChI=1S/C6H8N2OS.ClH/c7-2-5-1-4(3-10-5)6(8)9;/h1,3H,2,7H2,(H2,8,9);1H
InChIKeyCDQUVEWUDCTJBV-UHFFFAOYSA-N
XLogP0.73
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.67
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride?
The IUPAC name of 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride (CID 163226135) is 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride is Cl.NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride?
The InChIKey is CDQUVEWUDCTJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.ClH/c7-2-5-1-4(3-10-5)6(8)9;/h1,3H,2,7H2,(H2,8,9);1H.
What are the key properties of 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride?
5-(aminomethyl)thiophene-3-carboxamide;hydrochloride has a molecular weight of 192.67 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 163226135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).