4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide

C12H18N4OS — CID 103420749

IUPAC4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide
SMILESCCN(CC(C)C)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C12H18N4OS/c1-4-16(6-7(2)3)12-9(11(15)17)10(14)8(5-13)18-12/h7H,4,6,14H2,1-3H3,(H2,15,17)
InChIKeyRRQZOWFPYQKZID-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.78
Rot. Bonds5

About 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide

4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide (PubChem CID 103420749) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide
PubChem CID103420749
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide
SMILESCCN(CC(C)C)c1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C12H18N4OS/c1-4-16(6-7(2)3)12-9(11(15)17)10(14)8(5-13)18-12/h7H,4,6,14H2,1-3H3,(H2,15,17)
InChIKeyRRQZOWFPYQKZID-UHFFFAOYSA-N
XLogP1.78
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide (CID 103420749) is 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide is CCN(CC(C)C)c1sc(C#N)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide?
The InChIKey is RRQZOWFPYQKZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-16(6-7(2)3)12-9(11(15)17)10(14)8(5-13)18-12/h7H,4,6,14H2,1-3H3,(H2,15,17).
What are the key properties of 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide?
4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 103420749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).