3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide

C11H16N4OS — CID 103425215

IUPAC3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
SMILESCCCCNc1sc(C(=O)NC)c(N)c1C#N
InChIInChI=1S/C11H16N4OS/c1-3-4-5-15-11-7(6-12)8(13)9(17-11)10(16)14-2/h15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyLOTOMXCCYXEECV-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.77
Rot. Bonds5

About 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide

3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide (PubChem CID 103425215) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
PubChem CID103425215
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
SMILESCCCCNc1sc(C(=O)NC)c(N)c1C#N
InChIInChI=1S/C11H16N4OS/c1-3-4-5-15-11-7(6-12)8(13)9(17-11)10(16)14-2/h15H,3-5,13H2,1-2H3,(H,14,16)
InChIKeyLOTOMXCCYXEECV-UHFFFAOYSA-N
XLogP1.77
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
CID 103426994
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
3-amino-4-cyano-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505953
3-amino-4-cyano-N-methyl-5-(5,5,5-trifluoropentylamino)thiophene-2-carboxamide
CID 103506020
3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029275
methyl 3-amino-4-cyano-5-(4-methylpentylamino)thiophene-2-carboxylate
CID 103507086
4-amino-2-[3-(dimethylamino)propylamino]-5-propanoylthiophene-3-carbonitrile
CID 103426163
4-amino-5-propanoyl-2-(5,5,5-trifluoropentylamino)thiophene-3-carbonitrile
CID 103506050
3-amino-4-cyano-5-(3-methoxypropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103427052
3-amino-4-cyano-N-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxamide
CID 103426161
3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
CID 103425366

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide (CID 103425215) is 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide is CCCCNc1sc(C(=O)NC)c(N)c1C#N.
What is the InChIKey of 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide?
The InChIKey is LOTOMXCCYXEECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-4-5-15-11-7(6-12)8(13)9(17-11)10(16)14-2/h15H,3-5,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide?
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.77, 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-cyano-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103425215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).