3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

C11H13N3OS2 — CID 103417441

IUPAC3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SCC)c(C#N)c1N
InChIInChI=1S/C11H13N3OS2/c1-3-5-14-10(15)9-8(13)7(6-12)11(17-9)16-4-2/h3H,1,4-5,13H2,2H3,(H,14,15)
InChIKeyLTHWZVWVAQQJKV-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.23
Rot. Bonds5

About 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103417441) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103417441
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(SCC)c(C#N)c1N
InChIInChI=1S/C11H13N3OS2/c1-3-5-14-10(15)9-8(13)7(6-12)11(17-9)16-4-2/h3H,1,4-5,13H2,2H3,(H,14,15)
InChIKeyLTHWZVWVAQQJKV-UHFFFAOYSA-N
XLogP2.23
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.23
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

3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417496
3-amino-4-cyano-5-(2-methylpentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103508477
3-amino-4-cyano-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419340
3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103420799
3-amino-4-cyano-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417735
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830
3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526630
3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421463
3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide
CID 103427234
3-amino-4-cyano-5-(oxolan-3-ylmethylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103507187
3-amino-4-cyano-N-prop-2-enyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434271
3,6-diamino-5-cyano-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997955

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (CID 103417441) is 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(SCC)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is LTHWZVWVAQQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-5-14-10(15)9-8(13)7(6-12)11(17-9)16-4-2/h3H,1,4-5,13H2,2H3,(H,14,15).
What are the key properties of 3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.23, 5 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-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103417441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).