3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide

C14H14N4OS2 — CID 103427234

IUPAC3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCc2cccs2)c(C#N)c1N
InChIInChI=1S/C14H14N4OS2/c1-2-5-17-13(19)12-11(16)10(7-15)14(21-12)18-8-9-4-3-6-20-9/h2-4,6,18H,1,5,8,16H2,(H,17,19)
InChIKeyLJWOIHOGYHCBLS-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.79
Rot. Bonds6

About 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide

3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide (PubChem CID 103427234) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide
PubChem CID103427234
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCc2cccs2)c(C#N)c1N
InChIInChI=1S/C14H14N4OS2/c1-2-5-17-13(19)12-11(16)10(7-15)14(21-12)18-8-9-4-3-6-20-9/h2-4,6,18H,1,5,8,16H2,(H,17,19)
InChIKeyLJWOIHOGYHCBLS-UHFFFAOYSA-N
XLogP2.79
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-cyano-N-prop-2-enyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434271
3-amino-4-cyano-5-(oxolan-3-ylmethylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103507187
3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103424930
3-amino-4-cyano-5-(2-methylpentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103508477
3-amino-2-N,4-N-dimethyl-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxamide
CID 103427267
3-amino-4-cyano-5-ethylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103417441
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
3-amino-4-cyano-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419340
dimethyl 3-amino-5-(thiophen-2-ylmethylamino)thiophene-2,4-dicarboxylate
CID 103427207
3-amino-4-cyano-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417735
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide (CID 103427234) is 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide is C=CCNC(=O)c1sc(NCc2cccs2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide?
The InChIKey is LJWOIHOGYHCBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-2-5-17-13(19)12-11(16)10(7-15)14(21-12)18-8-9-4-3-6-20-9/h2-4,6,18H,1,5,8,16H2,(H,17,19).
What are the key properties of 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide?
3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103427234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).