4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide

C13H21N5OS — CID 106044889

IUPAC4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
SMILESCC(C)N(C)CCCNc1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C13H21N5OS/c1-8(2)18(3)6-4-5-17-13-10(12(16)19)11(15)9(7-14)20-13/h8,17H,4-6,15H2,1-3H3,(H2,16,19)
InChIKeyQGKRZACTPRHTBW-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.44
Rot. Bonds7

About 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide

4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide (PubChem CID 106044889) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
PubChem CID106044889
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide
SMILESCC(C)N(C)CCCNc1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C13H21N5OS/c1-8(2)18(3)6-4-5-17-13-10(12(16)19)11(15)9(7-14)20-13/h8,17H,4-6,15H2,1-3H3,(H2,16,19)
InChIKeyQGKRZACTPRHTBW-UHFFFAOYSA-N
XLogP1.44
TPSA108.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.44
H-Bond Donors ≤ 53
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-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2,4-dicarbonitrile
CID 106044905
methyl 4-amino-5-cyano-2-[2-(dimethylamino)ethylamino]thiophene-3-carboxylate
CID 103424377
4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 103423198
4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
CID 103425944
methyl 4-amino-5-cyano-2-(3-methylbutylamino)thiophene-3-carboxylate
CID 103425658
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
3-amino-5-[3-(dimethylamino)propylamino]-4-methoxythiophene-2-carbonitrile
CID 103426197
1-[3-amino-4-methoxy-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophen-2-yl]ethanone
CID 106045062
methyl 4-amino-5-cyano-2-(2-methylsulfonylethylamino)thiophene-3-carboxylate
CID 103432229
methyl 3-amino-4-carbamoyl-5-[2-(dimethylamino)ethylamino]thiophene-2-carboxylate
CID 103424350
4-amino-5-cyano-2-[2-(3-fluorophenyl)ethylamino]thiophene-3-carboxamide
CID 103427665
4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide
CID 103420749

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide (CID 106044889) is 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide is CC(C)N(C)CCCNc1sc(C#N)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide?
The InChIKey is QGKRZACTPRHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-8(2)18(3)6-4-5-17-13-10(12(16)19)11(15)9(7-14)20-13/h8,17H,4-6,15H2,1-3H3,(H2,16,19).
What are the key properties of 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-3-carboxamide is sourced from PubChem (CID 106044889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).