3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile

C12H17N3S — CID 103426608

IUPAC3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
SMILESCC1CCC(Nc2cc(N)c(C#N)s2)CC1
InChIInChI=1S/C12H17N3S/c1-8-2-4-9(5-3-8)15-12-6-10(14)11(7-13)16-12/h6,8-9,15H,2-5,14H2,1H3
InChIKeyZLQOKZUXUILQDO-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.19
Rot. Bonds2

About 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile

3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile (PubChem CID 103426608) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
PubChem CID103426608
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
SMILESCC1CCC(Nc2cc(N)c(C#N)s2)CC1
InChIInChI=1S/C12H17N3S/c1-8-2-4-9(5-3-8)15-12-6-10(14)11(7-13)16-12/h6,8-9,15H,2-5,14H2,1H3
InChIKeyZLQOKZUXUILQDO-UHFFFAOYSA-N
XLogP3.19
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(cyclobutylamino)thiophene-2-carbonitrile
CID 103525977
1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
CID 103426543
3-amino-5-(cyclopropylmethylamino)thiophene-2-carbonitrile
CID 103424676
ethyl 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxylate
CID 103426599
3-amino-4-methoxy-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile
CID 103426567
2-amino-5-[(4-methylcyclohexyl)amino]benzonitrile
CID 104963338
2-amino-3-[(4-methylcyclohexyl)amino]benzonitrile
CID 104716184
3-amino-5-(2-methylsulfonylethylamino)thiophene-2-carbonitrile
CID 103432311
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
CID 113334150
5-methyl-2-N-(4-methylcyclohexyl)pyridine-2,3-diamine
CID 66279507
3-amino-4-(cyclopropylamino)benzonitrile
CID 43517994

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile (CID 103426608) is 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile is CC1CCC(Nc2cc(N)c(C#N)s2)CC1.
What is the InChIKey of 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
The InChIKey is ZLQOKZUXUILQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-2-4-9(5-3-8)15-12-6-10(14)11(7-13)16-12/h6,8-9,15H,2-5,14H2,1H3.
What are the key properties of 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile?
3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile has a molecular weight of 235.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-methylcyclohexyl)amino]thiophene-2-carbonitrile is sourced from PubChem (CID 103426608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).