3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide

C11H17N5OS — CID 103422217

IUPAC3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
SMILESCN(C)CCN(C)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C11H17N5OS/c1-15(2)4-5-16(3)11-7(6-12)8(13)9(18-11)10(14)17/h4-5,13H2,1-3H3,(H2,14,17)
InChIKeyOVIYEEJVFVMUNZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.30
Rot. Bonds5

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

3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide (PubChem CID 103422217) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
PubChem CID103422217
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
SMILESCN(C)CCN(C)c1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C11H17N5OS/c1-15(2)4-5-16(3)11-7(6-12)8(13)9(18-11)10(14)17/h4-5,13H2,1-3H3,(H2,14,17)
InChIKeyOVIYEEJVFVMUNZ-UHFFFAOYSA-N
XLogP0.30
TPSA99.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-5-[methyl(propyl)amino]thiophene-2-carboxamide
CID 103421295
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 103422252
4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103422268
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422176
3-amino-4-cyano-5-[(4-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103418147
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
3-amino-5-[2-(dimethylamino)ethyl-methylamino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422189
3-amino-4-cyano-5-[(3-fluorophenyl)methyl-methylamino]thiophene-2-carboxamide
CID 103420730
ethyl 3-amino-5-[butyl(methyl)amino]-4-cyanothiophene-2-carboxylate
CID 103420407
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
4-amino-5-(cyclopropanecarbonyl)-2-[methyl(2-methylpropyl)amino]thiophene-3-carbonitrile
CID 103421117

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide (CID 103422217) is 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide is CN(C)CCN(C)c1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
The InChIKey is OVIYEEJVFVMUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-15(2)4-5-16(3)11-7(6-12)8(13)9(18-11)10(14)17/h4-5,13H2,1-3H3,(H2,14,17).
What are the key properties of 3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide has a molecular weight of 267.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 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]thiophene-2-carboxamide is sourced from PubChem (CID 103422217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).