3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile

C13H14N4S2 — CID 103427506

IUPAC3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
SMILESCSc1c(NC(C)c2ccncc2)sc(C#N)c1N
InChIInChI=1S/C13H14N4S2/c1-8(9-3-5-16-6-4-9)17-13-12(18-2)11(15)10(7-14)19-13/h3-6,8,17H,15H2,1-2H3
InChIKeyORGUDFVOYQNDSI-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.49
Rot. Bonds4

About 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile

3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile (PubChem CID 103427506) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
PubChem CID103427506
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
SMILESCSc1c(NC(C)c2ccncc2)sc(C#N)c1N
InChIInChI=1S/C13H14N4S2/c1-8(9-3-5-16-6-4-9)17-13-12(18-2)11(15)10(7-14)19-13/h3-6,8,17H,15H2,1-2H3
InChIKeyORGUDFVOYQNDSI-UHFFFAOYSA-N
XLogP3.49
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427472
4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
CID 106595169
3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
4-pyridin-4-yl-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363995
5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile
CID 61297293
3-amino-5-[2-(3,5-difluorophenyl)ethylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103526209
3-amino-5-(2-ethoxyethylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 103428094
3-amino-5-[(5-bromo-2-fluorophenyl)methylamino]-4-methylsulfanylthiophene-2-carbonitrile
CID 103507766
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-6-amine
CID 43682798
3-amino-5-(5-methoxypentylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 114132062

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile (CID 103427506) is 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile is CSc1c(NC(C)c2ccncc2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
The InChIKey is ORGUDFVOYQNDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-8(9-3-5-16-6-4-9)17-13-12(18-2)11(15)10(7-14)19-13/h3-6,8,17H,15H2,1-2H3.
What are the key properties of 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile has a molecular weight of 290.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103427506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).