(E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide

C14H15FN2O2S — CID 786716

IUPAC(E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NC(=S)N1CCOCC1
InChIInChI=1S/C14H15FN2O2S/c15-12-4-1-11(2-5-12)3-6-13(18)16-14(20)17-7-9-19-10-8-17/h1-6H,7-10H2,(H,16,18,20)/b6-3+
InChIKeyDGOLNVNQJQHCMP-ZZXKWVIFSA-N
MW294.35 g/mol
LogP1.57
Rot. Bonds2

About (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide (PubChem CID 786716) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide
PubChem CID786716
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name(E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NC(=S)N1CCOCC1
InChIInChI=1S/C14H15FN2O2S/c15-12-4-1-11(2-5-12)3-6-13(18)16-14(20)17-7-9-19-10-8-17/h1-6H,7-10H2,(H,16,18,20)/b6-3+
InChIKeyDGOLNVNQJQHCMP-ZZXKWVIFSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
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

3-(4-bromophenyl)-N-(4-morpholinylcarbonothioyl)acrylamide
CID 1105437
(E)-3-(4-fluorophenyl)-N-(4-methylpiperazine-1-carbothioyl)prop-2-enamide
CID 812041
N-[(4-fluorophenyl)carbonyl]morpholine-4-carbimidothioic acid
CID 932740
2,4-difluoro-N-(morpholine-4-carbothioyl)benzamide
CID 2823840
N-[(4-methyl-1-piperazinyl)carbothioyl]-3-phenylacrylamide
CID 1788422
3-(4-fluorophenyl)-N-[(4-morpholinylamino)carbonothioyl]acrylamide
CID 871120
4-Thiazolidinone, 5-(p-fluorobenzylidene)-3-(morpholinomethyl)-2-thioxo-
CID 1205513
4-Thiazolidinone, 5-(m-fluorobenzylidene)-3-(morpholinomethyl)-2-thioxo-
CID 6447910
3-(4-fluorophenyl)-N-(1-piperidinylcarbonothioyl)acrylamide
CID 5400211
(2-fluorophenyl)-N-(morpholin-4-ylthioxomethyl)carboxamide
CID 4763562
(2E)-3-phenyl-N-(piperidin-1-ylcarbonothioyl)prop-2-enamide
CID 836098
3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide
CID 762373

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide (CID 786716) is (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NC(=S)N1CCOCC1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
The InChIKey is DGOLNVNQJQHCMP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-12-4-1-11(2-5-12)3-6-13(18)16-14(20)17-7-9-19-10-8-17/h1-6H,7-10H2,(H,16,18,20)/b6-3+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(morpholine-4-carbothioyl)prop-2-enamide is sourced from PubChem (CID 786716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).