3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide

C10H14N4OS — CID 103421295

IUPAC3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide
SMILESCCCN(C)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-3-4-14(2)10-6(5-11)7(12)8(16-10)9(13)15/h3-4,12H2,1-2H3,(H2,13,15)
InChIKeySKCLQXWAQIHHQD-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide

3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide (PubChem CID 103421295) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide
PubChem CID103421295
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide
SMILESCCCN(C)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C10H14N4OS/c1-3-4-14(2)10-6(5-11)7(12)8(16-10)9(13)15/h3-4,12H2,1-2H3,(H2,13,15)
InChIKeySKCLQXWAQIHHQD-UHFFFAOYSA-N
XLogP1.15
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422217
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103422252
ethyl 3-amino-5-[butyl(methyl)amino]-4-cyanothiophene-2-carboxylate
CID 103420407
4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422268
3-amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422176
4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103509469
3-amino-4-cyano-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417735
ethyl 3-amino-4-carbamoyl-5-[methyl(propyl)amino]thiophene-2-carboxylate
CID 103421318
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide (CID 103421295) is 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide is CCCN(C)c1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide?
The InChIKey is SKCLQXWAQIHHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-4-14(2)10-6(5-11)7(12)8(16-10)9(13)15/h3-4,12H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103421295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).