3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile

C13H14N4S — CID 103505486

IUPAC3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile
SMILESCCN(Cc1ccccn1)c1cc(N)c(C#N)s1
InChIInChI=1S/C13H14N4S/c1-2-17(9-10-5-3-4-6-16-10)13-7-11(15)12(8-14)18-13/h3-7H,2,9,15H2,1H3
InChIKeyMXCHWSFXTSVEBR-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.62
Rot. Bonds4

About 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile

3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile (PubChem CID 103505486) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile
PubChem CID103505486
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile
SMILESCCN(Cc1ccccn1)c1cc(N)c(C#N)s1
InChIInChI=1S/C13H14N4S/c1-2-17(9-10-5-3-4-6-16-10)13-7-11(15)12(8-14)18-13/h3-7H,2,9,15H2,1H3
InChIKeyMXCHWSFXTSVEBR-UHFFFAOYSA-N
XLogP2.62
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103505484
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103505469
6-[ethyl(pyridin-2-ylmethyl)amino]pyridazine-3-carbonitrile
CID 133419199
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364459
1-[3-amino-5-[methyl(pyridin-2-ylmethyl)amino]thiophen-2-yl]propan-1-one
CID 103509028
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693
4-N-ethyl-2-propan-2-yl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80965607
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile (CID 103505486) is 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile is CCN(Cc1ccccn1)c1cc(N)c(C#N)s1.
What is the InChIKey of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile?
The InChIKey is MXCHWSFXTSVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-17(9-10-5-3-4-6-16-10)13-7-11(15)12(8-14)18-13/h3-7H,2,9,15H2,1H3.
What are the key properties of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile?
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile has a molecular weight of 258.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carbonitrile is sourced from PubChem (CID 103505486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).