4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide

C14H23N5OS — CID 103425944

IUPAC4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
SMILESCCN(CC)CCCNc1sc(C#N)c(N)c1C(=O)NC
InChIInChI=1S/C14H23N5OS/c1-4-19(5-2)8-6-7-18-14-11(13(20)17-3)12(16)10(9-15)21-14/h18H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyHBZBCKOGKOKKEK-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.71
Rot. Bonds8

About 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide

4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide (PubChem CID 103425944) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
PubChem CID103425944
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide
SMILESCCN(CC)CCCNc1sc(C#N)c(N)c1C(=O)NC
InChIInChI=1S/C14H23N5OS/c1-4-19(5-2)8-6-7-18-14-11(13(20)17-3)12(16)10(9-15)21-14/h18H,4-8,16H2,1-3H3,(H,17,20)
InChIKeyHBZBCKOGKOKKEK-UHFFFAOYSA-N
XLogP1.71
TPSA94.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide (CID 103425944) is 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide is CCN(CC)CCCNc1sc(C#N)c(N)c1C(=O)NC.
What is the InChIKey of 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide?
The InChIKey is HBZBCKOGKOKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-4-19(5-2)8-6-7-18-14-11(13(20)17-3)12(16)10(9-15)21-14/h18H,4-8,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide?
4-amino-5-cyano-2-[3-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.71, 8 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-(diethylamino)propylamino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103425944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).