4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide

C15H16N4OS — CID 61112442

IUPAC4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCc1sc(NC(=O)c2cc(N)cn2C2CC2)c(C#N)c1C
InChIInChI=1S/C15H16N4OS/c1-8-9(2)21-15(12(8)6-16)18-14(20)13-5-10(17)7-19(13)11-3-4-11/h5,7,11H,3-4,17H2,1-2H3,(H,18,20)
InChIKeyLYYXPDPDYDDAKW-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.21
Rot. Bonds3

About 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide

4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 61112442) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID61112442
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCc1sc(NC(=O)c2cc(N)cn2C2CC2)c(C#N)c1C
InChIInChI=1S/C15H16N4OS/c1-8-9(2)21-15(12(8)6-16)18-14(20)13-5-10(17)7-19(13)11-3-4-11/h5,7,11H,3-4,17H2,1-2H3,(H,18,20)
InChIKeyLYYXPDPDYDDAKW-UHFFFAOYSA-N
XLogP3.21
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
4-amino-3,5-dichloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 82812379
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892
4-amino-1-cyclopropyl-N-(3-hydroxy-4-methylphenyl)pyrrole-2-carboxamide
CID 107699264
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23351902
(2S)-2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-cyclopropylpropanamide
CID 112735307
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
CID 115745600
4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide
CID 43643692
4,5-dibromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)thiophene-2-carboxamide
CID 22830462
2-(4-aminopiperidin-1-yl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 43556496
1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
CID 65464284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide (CID 61112442) is 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide is Cc1sc(NC(=O)c2cc(N)cn2C2CC2)c(C#N)c1C.
What is the InChIKey of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is LYYXPDPDYDDAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-8-9(2)21-15(12(8)6-16)18-14(20)13-5-10(17)7-19(13)11-3-4-11/h5,7,11H,3-4,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide?
4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 61112442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).