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

C12H14N2O3S — CID 2054544

IUPAC(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC(=S)N1CCOCC1
InChIInChI=1S/C12H14N2O3S/c15-11(4-3-10-2-1-7-17-10)13-12(18)14-5-8-16-9-6-14/h1-4,7H,5-6,8-9H2,(H,13,15,18)/b4-3+
InChIKeyWAFOBJSSMIVXRM-ONEGZZNKSA-N
MW266.32 g/mol
LogP1.03
Rot. Bonds2

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

(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide (PubChem CID 2054544) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide
PubChem CID2054544
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC(=S)N1CCOCC1
InChIInChI=1S/C12H14N2O3S/c15-11(4-3-10-2-1-7-17-10)13-12(18)14-5-8-16-9-6-14/h1-4,7H,5-6,8-9H2,(H,13,15,18)/b4-3+
InChIKeyWAFOBJSSMIVXRM-ONEGZZNKSA-N
XLogP1.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.03
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

N-(azepane-1-carbothioyl)-3-(furan-2-yl)prop-2-enamide
CID 762371
N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(furan-2-yl)prop-2-enamide
CID 4945698
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2921436
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
(E)-N-(morpholine-4-carbothioyl)but-2-enamide
CID 13494821
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
N-(diethylcarbamothioyl)-3-(furan-2-yl)prop-2-enamide
CID 2830723
(E)-3-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
(E)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(furan-2-yl)prop-2-enamide
CID 7721839
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide (CID 2054544) is (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide is O=C(/C=C/c1ccco1)NC(=S)N1CCOCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
The InChIKey is WAFOBJSSMIVXRM-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-11(4-3-10-2-1-7-17-10)13-12(18)14-5-8-16-9-6-14/h1-4,7H,5-6,8-9H2,(H,13,15,18)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide has a molecular weight of 266.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide is sourced from PubChem (CID 2054544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).