3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide

C10H14N4OS — CID 103425232

IUPAC3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
SMILESCCCCNc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-2-3-4-14-10-6(5-11)7(12)8(16-10)9(13)15/h14H,2-4,12H2,1H3,(H2,13,15)
InChIKeyIDFBPJBGEAAPNH-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide

3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide (PubChem CID 103425232) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
PubChem CID103425232
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
SMILESCCCCNc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-2-3-4-14-10-6(5-11)7(12)8(16-10)9(13)15/h14H,2-4,12H2,1H3,(H2,13,15)
InChIKeyIDFBPJBGEAAPNH-UHFFFAOYSA-N
XLogP1.51
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-5-(butylamino)-4-cyanothiophene-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-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029310
4-amino-2-[3-(dimethylamino)propylamino]-5-propanoylthiophene-3-carbonitrile
CID 103426163
methyl 3-amino-4-cyano-5-(4-methylpentylamino)thiophene-2-carboxylate
CID 103507086
4-amino-5-propanoyl-2-(5,5,5-trifluoropentylamino)thiophene-3-carbonitrile
CID 103506050
3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
CID 103426994
3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
CID 103425366
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225
3-amino-4-cyano-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505953
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
4-amino-5-propanoyl-2-(4-propan-2-yloxybutylamino)thiophene-3-carbonitrile
CID 106017458

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide (CID 103425232) is 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide is CCCCNc1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide?
The InChIKey is IDFBPJBGEAAPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-3-4-14-10-6(5-11)7(12)8(16-10)9(13)15/h14H,2-4,12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide?
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide is sourced from PubChem (CID 103425232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).