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

C15H16N4S — CID 103427517

IUPAC3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
SMILESCC(Nc1sc(C#N)c(N)c1C1CC1)c1ccncc1
InChIInChI=1S/C15H16N4S/c1-9(10-4-6-18-7-5-10)19-15-13(11-2-3-11)14(17)12(8-16)20-15/h4-7,9,11,19H,2-3,17H2,1H3
InChIKeyVYQCSNIVYKNQQZ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.65
Rot. Bonds4

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

3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile (PubChem CID 103427517) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
PubChem CID103427517
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
SMILESCC(Nc1sc(C#N)c(N)c1C1CC1)c1ccncc1
InChIInChI=1S/C15H16N4S/c1-9(10-4-6-18-7-5-10)19-15-13(11-2-3-11)14(17)12(8-16)20-15/h4-7,9,11,19H,2-3,17H2,1H3
InChIKeyVYQCSNIVYKNQQZ-UHFFFAOYSA-N
XLogP3.65
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427506
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
CID 103427607
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
CID 103526126
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427472
3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
CID 103424836
4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
CID 106595169
4-pyridin-4-yl-5-N-(1-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103363995
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
CID 103434310
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
CID 103526708
5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile
CID 61297293

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile (CID 103427517) is 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile is CC(Nc1sc(C#N)c(N)c1C1CC1)c1ccncc1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
The InChIKey is VYQCSNIVYKNQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9(10-4-6-18-7-5-10)19-15-13(11-2-3-11)14(17)12(8-16)20-15/h4-7,9,11,19H,2-3,17H2,1H3.
What are the key properties of 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile has a molecular weight of 284.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103427517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).