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

C15H16N4S — CID 103427477

IUPAC3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
SMILESCC(Nc1sc(C#N)c(N)c1C1CC1)c1cccnc1
InChIInChI=1S/C15H16N4S/c1-9(11-3-2-6-18-8-11)19-15-13(10-4-5-10)14(17)12(7-16)20-15/h2-3,6,8-10,19H,4-5,17H2,1H3
InChIKeySNSJKNKXJPJIGF-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.65
Rot. Bonds4

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

3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile (PubChem CID 103427477) 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-3-ylethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
PubChem CID103427477
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
SMILESCC(Nc1sc(C#N)c(N)c1C1CC1)c1cccnc1
InChIInChI=1S/C15H16N4S/c1-9(11-3-2-6-18-8-11)19-15-13(10-4-5-10)14(17)12(7-16)20-15/h2-3,6,8-10,19H,4-5,17H2,1H3
InChIKeySNSJKNKXJPJIGF-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-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427472
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
CID 103427456
3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
CID 103424836
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
3-amino-N-cyclopropyl-5-(1-pyridin-3-ylethylamino)-1,2-thiazole-4-carboxamide
CID 103382902
1-[3-amino-5-(1-pyridin-3-ylethylamino)thiophen-2-yl]ethanone
CID 103427458
(1R)-1-cyclopropyl-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 28655253

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile (CID 103427477) is 3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile is CC(Nc1sc(C#N)c(N)c1C1CC1)c1cccnc1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
The InChIKey is SNSJKNKXJPJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-9(11-3-2-6-18-8-11)19-15-13(10-4-5-10)14(17)12(7-16)20-15/h2-3,6,8-10,19H,4-5,17H2,1H3.
What are the key properties of 3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-(1-pyridin-3-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-3-ylethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103427477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).