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

C14H21N5OS — CID 103422176

IUPAC3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
SMILESCN(C)CCN(C)c1sc(C(=O)NC2CC2)c(N)c1C#N
InChIInChI=1S/C14H21N5OS/c1-18(2)6-7-19(3)14-10(8-15)11(16)12(21-14)13(20)17-9-4-5-9/h9H,4-7,16H2,1-3H3,(H,17,20)
InChIKeyJKAZWADROOEGRB-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.09
Rot. Bonds6

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

3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide (PubChem CID 103422176) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
PubChem CID103422176
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
SMILESCN(C)CCN(C)c1sc(C(=O)NC2CC2)c(N)c1C#N
InChIInChI=1S/C14H21N5OS/c1-18(2)6-7-19(3)14-10(8-15)11(16)12(21-14)13(20)17-9-4-5-9/h9H,4-7,16H2,1-3H3,(H,17,20)
InChIKeyJKAZWADROOEGRB-UHFFFAOYSA-N
XLogP1.09
TPSA85.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide
CID 103422217
3-amino-4-cyano-N-cyclopropyl-5-[3-(dimethylamino)propylamino]thiophene-2-carboxamide
CID 103426161
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-5-[methyl(propyl)amino]thiophene-2-carboxamide
CID 103421295
3-amino-5-[butyl(methyl)amino]-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103420432
3-amino-4-cyano-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carboxamide
CID 103421552
3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425757
3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421463
3-amino-4-cyano-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417735
5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carbonitrile
CID 103420406
3-amino-N-cyclopropyl-5-[ethyl(methyl)amino]-4-methylsulfonylthiophene-2-carboxamide
CID 103420942

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide (CID 103422176) is 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide is CN(C)CCN(C)c1sc(C(=O)NC2CC2)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
The InChIKey is JKAZWADROOEGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-18(2)6-7-19(3)14-10(8-15)11(16)12(21-14)13(20)17-9-4-5-9/h9H,4-7,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide?
3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-cyclopropyl-5-[2-(dimethylamino)ethyl-methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 103422176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).