(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide

C10H12N2OS2 — CID 6235093

IUPAC(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCNC(=S)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H12N2OS2/c1-2-11-10(14)12-9(13)6-5-8-4-3-7-15-8/h3-7H,2H2,1H3,(H2,11,12,13,14)/b6-5+
InChIKeyZTCKYVILSGVGLR-AATRIKPKSA-N
MW240.35 g/mol
LogP1.77
Rot. Bonds3

About (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 6235093) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID6235093
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCNC(=S)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C10H12N2OS2/c1-2-11-10(14)12-9(13)6-5-8-4-3-7-15-8/h3-7H,2H2,1H3,(H2,11,12,13,14)/b6-5+
InChIKeyZTCKYVILSGVGLR-AATRIKPKSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4949616
(E)-N-[(4-acetylphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 922827
N,N-dimethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4942669
(E)-N-[(2-ethoxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1226916
(E)-N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6301421
4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 922874
N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17354102
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5116973
N-[[(2-chlorobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5208024
N-(benzenesulfonamidocarbamothioyl)-3-thiophen-2-ylprop-2-enamide
CID 3370146
N-benzyl-4-oxo-4-[2-(3-thiophen-2-ylprop-2-enoylcarbamothioyl)hydrazinyl]butanamide
CID 5208268

Frequently Asked Questions

What is the IUPAC name of (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide (CID 6235093) is (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide is CCNC(=S)NC(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is ZTCKYVILSGVGLR-AATRIKPKSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-2-11-10(14)12-9(13)6-5-8-4-3-7-15-8/h3-7H,2H2,1H3,(H2,11,12,13,14)/b6-5+.
What are the key properties of (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6235093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).