3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide

C15H22N4OS — CID 103420799

IUPAC3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(CC)CC(C)C)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-5-7-18-14(20)13-12(17)11(8-16)15(21-13)19(6-2)9-10(3)4/h5,10H,1,6-7,9,17H2,2-4H3,(H,18,20)
InChIKeyLVYLURLSTYTFIV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.60
Rot. Bonds7

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

3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103420799) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103420799
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(CC)CC(C)C)c(C#N)c1N
InChIInChI=1S/C15H22N4OS/c1-5-7-18-14(20)13-12(17)11(8-16)15(21-13)19(6-2)9-10(3)4/h5,10H,1,6-7,9,17H2,2-4H3,(H,18,20)
InChIKeyLVYLURLSTYTFIV-UHFFFAOYSA-N
XLogP2.60
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-4-amino-2-[bis(2-methylpropyl)amino]thiophene-3-carbonitrile
CID 103509838
3-amino-4-cyano-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417735
3-amino-4-cyano-5-(diethylamino)-N-methylthiophene-2-carboxamide
CID 103419175
3-amino-4-cyano-5-(2-methylpentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103508477
3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103417441
3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421463
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
CID 103420839
3-amino-4-cyano-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419340
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
4-amino-5-cyano-2-[ethyl(2-methylpropyl)amino]thiophene-3-carboxamide
CID 103420749

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide (CID 103420799) is 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N(CC)CC(C)C)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is LVYLURLSTYTFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-5-7-18-14(20)13-12(17)11(8-16)15(21-13)19(6-2)9-10(3)4/h5,10H,1,6-7,9,17H2,2-4H3,(H,18,20).
What are the key properties of 3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.60, 7 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-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103420799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).