(E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide

C12H14N2O2S2 — CID 1389358

IUPAC(E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(=S)N1CCOCC1
InChIInChI=1S/C12H14N2O2S2/c15-11(4-3-10-2-1-9-18-10)13-12(17)14-5-7-16-8-6-14/h1-4,9H,5-8H2,(H,13,15,17)/b4-3+
InChIKeyCKTYYIIMJSZPNB-ONEGZZNKSA-N
MW282.39 g/mol
LogP1.49
Rot. Bonds2

About (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 1389358) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID1389358
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name(E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC(=S)N1CCOCC1
InChIInChI=1S/C12H14N2O2S2/c15-11(4-3-10-2-1-9-18-10)13-12(17)14-5-7-16-8-6-14/h1-4,9H,5-8H2,(H,13,15,17)/b4-3+
InChIKeyCKTYYIIMJSZPNB-ONEGZZNKSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-N-(4-methylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
CID 934100
(5E)-1-prop-2-enyl-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
CID 1901377
(E)-N-(4-ethylpiperazine-1-carbothioyl)-3-thiophen-2-ylprop-2-enamide
CID 2084095
4-[3-(2-Thienyl)acryloyl]morpholine
CID 2167137
(5Z)-1-prop-2-enyl-2-sulfanylidene-5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-4,6-dione
CID 145951079
N-[3-(4-morpholinyl)propyl]-3-(2-thienyl)acrylamide
CID 1769858
3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-1,3-thiazolidine-2,4-dione
CID 5785676
(5E)-1-(prop-2-en-1-yl)-5-(thiophen-2-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 1901378
(2E)-N-(pyrrolidin-1-ylcarbonothioyl)-3-(thiophen-2-yl)prop-2-enamide
CID 699909
(2E)-N-(piperidylthioxomethyl)-3-(2-thienyl)prop-2-enamide
CID 738458
3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469471
ethyl 4-{[(2E)-3-(thiophen-2-yl)prop-2-enoyl]carbamothioyl}piperazine-1-carboxylate
CID 1114509

Frequently Asked Questions

What is the IUPAC name of (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide (CID 1389358) is (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC(=S)N1CCOCC1.
What is the InChIKey of (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is CKTYYIIMJSZPNB-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c15-11(4-3-10-2-1-9-18-10)13-12(17)14-5-7-16-8-6-14/h1-4,9H,5-8H2,(H,13,15,17)/b4-3+.
What are the key properties of (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 282.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(morpholine-4-carbothioyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 1389358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).