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

C13H17N3S — CID 103427607

IUPAC3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
SMILESCC(Nc1sc(C#N)c(N)c1C1CC1)C1CC1
InChIInChI=1S/C13H17N3S/c1-7(8-2-3-8)16-13-11(9-4-5-9)12(15)10(6-14)17-13/h7-9,16H,2-5,15H2,1H3
InChIKeyLIKVLPOPTNKXSP-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.29
Rot. Bonds4

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

3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile (PubChem CID 103427607) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
PubChem CID103427607
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
SMILESCC(Nc1sc(C#N)c(N)c1C1CC1)C1CC1
InChIInChI=1S/C13H17N3S/c1-7(8-2-3-8)16-13-11(9-4-5-9)12(15)10(6-14)17-13/h7-9,16H,2-5,15H2,1H3
InChIKeyLIKVLPOPTNKXSP-UHFFFAOYSA-N
XLogP3.29
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
CID 103526126
3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
CID 103423008
[3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103427588
ethyl 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427575
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
CID 103526708
3-amino-4-cyclopropyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile
CID 103507777
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
CID 103434310
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
methyl 3-amino-4-carbamoyl-5-(1-cyclopropylethylamino)thiophene-2-carboxylate
CID 103427604
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile (CID 103427607) is 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile is CC(Nc1sc(C#N)c(N)c1C1CC1)C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile?
The InChIKey is LIKVLPOPTNKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-7(8-2-3-8)16-13-11(9-4-5-9)12(15)10(6-14)17-13/h7-9,16H,2-5,15H2,1H3.
What are the key properties of 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile?
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile has a molecular weight of 247.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103427607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).