5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide

C13H18N2O2S — CID 54994792

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C13H18N2O2S/c1-10(2)15(8-9-16)13(17)12-6-5-11(18-12)4-3-7-14/h5-6,10,16H,7-9,14H2,1-2H3
InChIKeyDURKXPOBEFNFKD-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.90
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 54994792) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID54994792
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C13H18N2O2S/c1-10(2)15(8-9-16)13(17)12-6-5-11(18-12)4-3-7-14/h5-6,10,16H,7-9,14H2,1-2H3
InChIKeyDURKXPOBEFNFKD-UHFFFAOYSA-N
XLogP0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide 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-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 54994792) is 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CCO)C(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is DURKXPOBEFNFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10(2)15(8-9-16)13(17)12-6-5-11(18-12)4-3-7-14/h5-6,10,16H,7-9,14H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 54994792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).