(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide

C10H10N2S2 — CID 679436

IUPAC(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide
SMILESCCc1ccc(/C=C(/C#N)C(N)=S)s1
InChIInChI=1S/C10H10N2S2/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5-
InChIKeyLBSBSALAZSKZBQ-ALCCZGGFSA-N
MW222.34 g/mol
LogP2.50
Rot. Bonds3

About (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide

(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide (PubChem CID 679436) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide
PubChem CID679436
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide
SMILESCCc1ccc(/C=C(/C#N)C(N)=S)s1
InChIInChI=1S/C10H10N2S2/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5-
InChIKeyLBSBSALAZSKZBQ-ALCCZGGFSA-N
XLogP2.50
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Thiophen-2-yl)malononitrile
CID 34175
2-(1-Thiophen-2-YL-ethylidene)-malononitrile
CID 263650
(E)-3-(5-butylthiophen-2-yl)-2-cyanoprop-2-enethioamide
CID 2168379
2,6-diamino-4-(5-ethyl(2-thienyl))-4H-thiin-3,5-dicarbonitrile
CID 2172514
Stk519550
CID 679427
[(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile
CID 3728688
3-(5-Methylthiophen-2-yl)propanenitrile
CID 67437836
4,6-diamino-2-(2-thienyl)-2H-thiin-3,5-dicarbonitrile
CID 3933996
(2Z)-2-(aminothioxomethyl)-3-(2-thienyl)prop-2-enenitrile
CID 679428
2-[(5-Methylsulfanylthiophen-2-yl)methylidene]propanedinitrile
CID 2740389
2-Amino-1-(2-thienylmethylene)prop-2-ene-1,3,3-tricarbonitrile
CID 1085468
2,6-diamino-4-(5-methylthiophen-2-yl)-4H-thiopyran-3,5-dicarbonitrile
CID 1963699

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide?
The IUPAC name of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide (CID 679436) is (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide.
What is the SMILES notation for (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide?
The canonical SMILES for (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide is CCc1ccc(/C=C(/C#N)C(N)=S)s1.
What is the InChIKey of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide?
The InChIKey is LBSBSALAZSKZBQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-2-8-3-4-9(14-8)5-7(6-11)10(12)13/h3-5H,2H2,1H3,(H2,12,13)/b7-5-.
What are the key properties of (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide?
(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide has a molecular weight of 222.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enethioamide is sourced from PubChem (CID 679436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).