3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide

C13H21N5OS — CID 103422252

IUPAC3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)CCN(C)c1sc(C(=O)N(C)C)c(N)c1C#N
InChIInChI=1S/C13H21N5OS/c1-16(2)6-7-18(5)13-9(8-14)10(15)11(20-13)12(19)17(3)4/h6-7,15H2,1-5H3
InChIKeyBHEQGZKDZMMKEG-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.90
Rot. Bonds5

About 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide

3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103422252) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
PubChem CID103422252
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)CCN(C)c1sc(C(=O)N(C)C)c(N)c1C#N
InChIInChI=1S/C13H21N5OS/c1-16(2)6-7-18(5)13-9(8-14)10(15)11(20-13)12(19)17(3)4/h6-7,15H2,1-5H3
InChIKeyBHEQGZKDZMMKEG-UHFFFAOYSA-N
XLogP0.90
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-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-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422217
4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422268
3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide
CID 103421295
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422176
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
ethyl 3-amino-5-[butyl(methyl)amino]-4-cyanothiophene-2-carboxylate
CID 103420407
3-amino-4-cyano-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417735
4-amino-2-[methyl(2,2,2-trifluoroethyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103509469
3-amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103505773
3-amino-5-[2-methoxyethyl(methyl)amino]-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 103417765
3-amino-5-[butyl(methyl)amino]-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420353

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide (CID 103422252) is 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide is CN(C)CCN(C)c1sc(C(=O)N(C)C)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is BHEQGZKDZMMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-16(2)6-7-18(5)13-9(8-14)10(15)11(20-13)12(19)17(3)4/h6-7,15H2,1-5H3.
What are the key properties of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide?
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103422252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).