5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile

C14H15N3S — CID 55170409

IUPAC5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile
SMILESCC(Cc1cccs1)Nc1ccc(N)cc1C#N
InChIInChI=1S/C14H15N3S/c1-10(7-13-3-2-6-18-13)17-14-5-4-12(16)8-11(14)9-15/h2-6,8,10,17H,7,16H2,1H3
InChIKeyFQPFOEWEQCGRDF-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.25
Rot. Bonds4

About 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile

5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile (PubChem CID 55170409) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile
PubChem CID55170409
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile
SMILESCC(Cc1cccs1)Nc1ccc(N)cc1C#N
InChIInChI=1S/C14H15N3S/c1-10(7-13-3-2-6-18-13)17-14-5-4-12(16)8-11(14)9-15/h2-6,8,10,17H,7,16H2,1H3
InChIKeyFQPFOEWEQCGRDF-UHFFFAOYSA-N
XLogP3.25
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
3-chloro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 63293665
2-chloro-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 115554957
4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
CID 103590392
3-bromo-4-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 82804851
3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile
CID 79375384
5-amino-2-(1-pyridin-4-ylethylamino)benzonitrile
CID 61297293
3-bromo-8-N-(1-thiophen-2-ylpropan-2-yl)quinoline-5,8-diamine
CID 106949355
4-iodo-2-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 66065714
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
CID 136809010
5-amino-2-[(3-methyl-2-propan-2-ylbutyl)amino]benzonitrile
CID 102903567

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile?
The IUPAC name of 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile (CID 55170409) is 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile.
What is the SMILES notation for 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile?
The canonical SMILES for 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile is CC(Cc1cccs1)Nc1ccc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile?
The InChIKey is FQPFOEWEQCGRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10(7-13-3-2-6-18-13)17-14-5-4-12(16)8-11(14)9-15/h2-6,8,10,17H,7,16H2,1H3.
What are the key properties of 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile?
5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile has a molecular weight of 257.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile is sourced from PubChem (CID 55170409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).