3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile

C10H12N4OS — CID 103426993

IUPAC3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
SMILESCOCCCNc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C10H12N4OS/c1-15-4-2-3-14-10-7(5-11)9(13)8(6-12)16-10/h14H,2-4,13H2,1H3
InChIKeyIMMAZZBSBUTEHI-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.52
Rot. Bonds5

About 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile

3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile (PubChem CID 103426993) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
PubChem CID103426993
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile
SMILESCOCCCNc1sc(C#N)c(N)c1C#N
InChIInChI=1S/C10H12N4OS/c1-15-4-2-3-14-10-7(5-11)9(13)8(6-12)16-10/h14H,2-4,13H2,1H3
InChIKeyIMMAZZBSBUTEHI-UHFFFAOYSA-N
XLogP1.52
TPSA94.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-(pentylamino)thiophene-2,4-dicarbonitrile
CID 103425366
3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
CID 103426994
3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2,4-dicarbonitrile
CID 106044905
3-amino-5-(5-methoxypentylamino)-4-methylsulfanylthiophene-2-carbonitrile
CID 114132062
3-amino-4-cyano-5-(3-methoxypropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103427052
3-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]thiophene-2,4-dicarbonitrile
CID 103425718
3-amino-5-[(3-methoxyphenyl)methylamino]thiophene-2,4-dicarbonitrile
CID 103431171
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103423501
3-amino-5-[3-(dimethylamino)propylamino]-4-methoxythiophene-2-carbonitrile
CID 103426197
methyl 3-amino-4-cyano-5-(4-methylpentylamino)thiophene-2-carboxylate
CID 103507086
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile?
The IUPAC name of 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile (CID 103426993) is 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile is COCCCNc1sc(C#N)c(N)c1C#N.
What is the InChIKey of 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile?
The InChIKey is IMMAZZBSBUTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-4-2-3-14-10-7(5-11)9(13)8(6-12)16-10/h14H,2-4,13H2,1H3.
What are the key properties of 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile?
3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile has a molecular weight of 236.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxypropylamino)thiophene-2,4-dicarbonitrile is sourced from PubChem (CID 103426993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).