4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile

C14H22N4OS — CID 103422268

IUPAC4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(N(C)CCN(C)C)c(C#N)c1N
InChIInChI=1S/C14H22N4OS/c1-9(2)12(19)13-11(16)10(8-15)14(20-13)18(5)7-6-17(3)4/h9H,6-7,16H2,1-5H3
InChIKeyUHTOLCYKXSOHOI-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.04
Rot. Bonds6

About 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile

4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile (PubChem CID 103422268) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
PubChem CID103422268
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile
SMILESCC(C)C(=O)c1sc(N(C)CCN(C)C)c(C#N)c1N
InChIInChI=1S/C14H22N4OS/c1-9(2)12(19)13-11(16)10(8-15)14(20-13)18(5)7-6-17(3)4/h9H,6-7,16H2,1-5H3
InChIKeyUHTOLCYKXSOHOI-UHFFFAOYSA-N
XLogP2.04
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile (CID 103422268) is 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile is CC(C)C(=O)c1sc(N(C)CCN(C)C)c(C#N)c1N.
What is the InChIKey of 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
The InChIKey is UHTOLCYKXSOHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(2)12(19)13-11(16)10(8-15)14(20-13)18(5)7-6-17(3)4/h9H,6-7,16H2,1-5H3.
What are the key properties of 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile?
4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile has a molecular weight of 294.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(dimethylamino)ethyl-methylamino]-5-(2-methylpropanoyl)thiophene-3-carbonitrile is sourced from PubChem (CID 103422268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).