(E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one

C20H18N2O2S2 — CID 60582996

IUPAC(E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18N2O2S2/c23-19(6-3-17-14-26-20(21-17)16-7-12-25-13-16)15-1-4-18(5-2-15)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2/b6-3+
InChIKeyKKSQRJSNTPYUFP-ZZXKWVIFSA-N
MW382.51 g/mol
LogP4.60
Rot. Bonds5

About (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one

(E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one (PubChem CID 60582996) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one
PubChem CID60582996
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name(E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H18N2O2S2/c23-19(6-3-17-14-26-20(21-17)16-7-12-25-13-16)15-1-4-18(5-2-15)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2/b6-3+
InChIKeyKKSQRJSNTPYUFP-ZZXKWVIFSA-N
XLogP4.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-morpholin-4-ylsulfonylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 60583286
(E)-1-(4-iodophenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 60583193
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(E)-N-hydroxy-3-[6-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 25206197
N-hydroxy-3-[6-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 74428632
1-(4-hydroxyphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 163050348
(E)-3-(1-methylpyrazol-3-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19541554
4-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]benzaldehyde
CID 6079708
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
4-[3-(6-morpholin-4-yl-2-pyridinyl)prop-2-enoyl]benzoic acid
CID 69311769
N-(4-morpholin-4-ylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26585016
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one (CID 60582996) is (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1csc(-c2ccsc2)n1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The InChIKey is KKSQRJSNTPYUFP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c23-19(6-3-17-14-26-20(21-17)16-7-12-25-13-16)15-1-4-18(5-2-15)22-8-10-24-11-9-22/h1-7,12-14H,8-11H2/b6-3+.
What are the key properties of (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
(E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one has a molecular weight of 382.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-morpholin-4-ylphenyl)-3-(2-thiophen-3-yl-1,3-thiazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 60582996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).