3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile

C14H19N3S — CID 103423008

IUPAC3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
SMILESN#Cc1sc(NC2CCCCC2)c(C2CC2)c1N
InChIInChI=1S/C14H19N3S/c15-8-11-13(16)12(9-6-7-9)14(18-11)17-10-4-2-1-3-5-10/h9-10,17H,1-7,16H2
InChIKeyBJZSVWLBRPJMQM-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.82
Rot. Bonds3

About 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile

3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile (PubChem CID 103423008) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
PubChem CID103423008
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile
SMILESN#Cc1sc(NC2CCCCC2)c(C2CC2)c1N
InChIInChI=1S/C14H19N3S/c15-8-11-13(16)12(9-6-7-9)14(18-11)17-10-4-2-1-3-5-10/h9-10,17H,1-7,16H2
InChIKeyBJZSVWLBRPJMQM-UHFFFAOYSA-N
XLogP3.82
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
CID 103526126
3-amino-5-(cyclopentylamino)-4-methylsulfonylthiophene-2-carbonitrile
CID 103423960
3-amino-4-cyclopropyl-5-(1-cyclopropylethylamino)thiophene-2-carbonitrile
CID 103427607
4-amino-5-cyano-2-(cyclobutylamino)thiophene-3-carboxamide
CID 103525923
3-amino-4-cyclopropyl-5-methylsulfanylthiophene-2-carbonitrile
CID 103526708
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
4-amino-5-cyano-2-[(1,1-dioxothian-4-yl)amino]thiophene-3-carboxamide
CID 103428685
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426567
4-amino-5-cyano-2-(cyclopropylamino)-N-methylthiophene-3-carboxamide
CID 103423667
3-amino-4-cyclopropyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carbonitrile
CID 103434310
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile (CID 103423008) is 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile is N#Cc1sc(NC2CCCCC2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile?
The InChIKey is BJZSVWLBRPJMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c15-8-11-13(16)12(9-6-7-9)14(18-11)17-10-4-2-1-3-5-10/h9-10,17H,1-7,16H2.
What are the key properties of 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile?
3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile has a molecular weight of 261.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclohexylamino)-4-cyclopropylthiophene-2-carbonitrile is sourced from PubChem (CID 103423008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).