3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile

C12H15N3S — CID 103526126

IUPAC3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
SMILESCC1CC1Nc1sc(C#N)c(N)c1C1CC1
InChIInChI=1S/C12H15N3S/c1-6-4-8(6)15-12-10(7-2-3-7)11(14)9(5-13)16-12/h6-8,15H,2-4,14H2,1H3
InChIKeyQVWAIQCCQBQERC-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile

3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile (PubChem CID 103526126) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
PubChem CID103526126
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
SMILESCC1CC1Nc1sc(C#N)c(N)c1C1CC1
InChIInChI=1S/C12H15N3S/c1-6-4-8(6)15-12-10(7-2-3-7)11(14)9(5-13)16-12/h6-8,15H,2-4,14H2,1H3
InChIKeyQVWAIQCCQBQERC-UHFFFAOYSA-N
XLogP2.90
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile 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-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
CID 103423008
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
CID 103427607
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526031
3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526109
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
CID 103526708
3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507777
3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
CID 103434310
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426567
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057
3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526086

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile (CID 103526126) is 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile is CC1CC1Nc1sc(C#N)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile?
The InChIKey is QVWAIQCCQBQERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-6-4-8(6)15-12-10(7-2-3-7)11(14)9(5-13)16-12/h6-8,15H,2-4,14H2,1H3.
What are the key properties of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile has a molecular weight of 233.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile is sourced from PubChem (CID 103526126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).