3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide

C13H19N3OS — CID 106199168

IUPAC3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
SMILESCC(C)=CCNc1cc(N)c(C(=O)NC2CC2)s1
InChIInChI=1S/C13H19N3OS/c1-8(2)5-6-15-11-7-10(14)12(18-11)13(17)16-9-3-4-9/h5,7,9,15H,3-4,6,14H2,1-2H3,(H,16,17)
InChIKeyCUYJRHQAXJQWGT-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.60
Rot. Bonds5

About 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide

3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide (PubChem CID 106199168) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
PubChem CID106199168
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
SMILESCC(C)=CCNc1cc(N)c(C(=O)NC2CC2)s1
InChIInChI=1S/C13H19N3OS/c1-8(2)5-6-15-11-7-10(14)12(18-11)13(17)16-9-3-4-9/h5,7,9,15H,3-4,6,14H2,1-2H3,(H,16,17)
InChIKeyCUYJRHQAXJQWGT-UHFFFAOYSA-N
XLogP2.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-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

Related Compounds

3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
CID 106017402
3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296562
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
CID 103426543
3-amino-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425572
1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide (CID 106199168) is 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide is CC(C)=CCNc1cc(N)c(C(=O)NC2CC2)s1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide?
The InChIKey is CUYJRHQAXJQWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8(2)5-6-15-11-7-10(14)12(18-11)13(17)16-9-3-4-9/h5,7,9,15H,3-4,6,14H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106199168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).