3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide

C15H20N4OS — CID 103421463

IUPAC3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CC2CCC2)c(C#N)c1N
InChIInChI=1S/C15H20N4OS/c1-3-7-18-14(20)13-12(17)11(8-16)15(21-13)19(2)9-10-5-4-6-10/h3,10H,1,4-7,9,17H2,2H3,(H,18,20)
InChIKeyNSMPHHKHBIGLTE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.35
Rot. Bonds6

About 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide

3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103421463) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103421463
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CC2CCC2)c(C#N)c1N
InChIInChI=1S/C15H20N4OS/c1-3-7-18-14(20)13-12(17)11(8-16)15(21-13)19(2)9-10-5-4-6-10/h3,10H,1,4-7,9,17H2,2H3,(H,18,20)
InChIKeyNSMPHHKHBIGLTE-UHFFFAOYSA-N
XLogP2.35
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide (CID 103421463) is 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N(C)CC2CCC2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is NSMPHHKHBIGLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-7-18-14(20)13-12(17)11(8-16)15(21-13)19(2)9-10-5-4-6-10/h3,10H,1,4-7,9,17H2,2H3,(H,18,20).
What are the key properties of 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103421463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).