(5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one

C16H16N2O3S2 — CID 6309972

IUPAC(5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one
SMILESO=C1N=C(SCC(=O)N2CCOCC2)S/C1=C\c1ccccc1
InChIInChI=1S/C16H16N2O3S2/c19-14(18-6-8-21-9-7-18)11-22-16-17-15(20)13(23-16)10-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2/b13-10-
InChIKeyYCCTVXIDCYULAZ-RAXLEYEMSA-N
MW348.45 g/mol
LogP2.25
Rot. Bonds3

About (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one

(5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one (PubChem CID 6309972) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one
PubChem CID6309972
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name(5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one
SMILESO=C1N=C(SCC(=O)N2CCOCC2)S/C1=C\c1ccccc1
InChIInChI=1S/C16H16N2O3S2/c19-14(18-6-8-21-9-7-18)11-22-16-17-15(20)13(23-16)10-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2/b13-10-
InChIKeyYCCTVXIDCYULAZ-RAXLEYEMSA-N
XLogP2.25
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one (CID 6309972) is (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one is O=C1N=C(SCC(=O)N2CCOCC2)S/C1=C\c1ccccc1.
What is the InChIKey of (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one?
The InChIKey is YCCTVXIDCYULAZ-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c19-14(18-6-8-21-9-7-18)11-22-16-17-15(20)13(23-16)10-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2/b13-10-.
What are the key properties of (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one?
(5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one has a molecular weight of 348.45 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-one is sourced from PubChem (CID 6309972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).