(5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one

C13H13N3O2S — CID 722605

IUPAC(5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1cccnc1
InChIInChI=1S/C13H13N3O2S/c17-12-11(8-10-2-1-3-14-9-10)19-13(15-12)16-4-6-18-7-5-16/h1-3,8-9H,4-7H2/b11-8-
InChIKeyODQGNRSRDOPGIO-FLIBITNWSA-N
MW275.33 g/mol
LogP1.38
Rot. Bonds1

About (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one

(5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 722605) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one
PubChem CID722605
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name(5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C\c1cccnc1
InChIInChI=1S/C13H13N3O2S/c17-12-11(8-10-2-1-3-14-9-10)19-13(15-12)16-4-6-18-7-5-16/h1-3,8-9H,4-7H2/b11-8-
InChIKeyODQGNRSRDOPGIO-FLIBITNWSA-N
XLogP1.38
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.38
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)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one (CID 722605) is (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C\c1cccnc1.
What is the InChIKey of (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is ODQGNRSRDOPGIO-FLIBITNWSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-12-11(8-10-2-1-3-14-9-10)19-13(15-12)16-4-6-18-7-5-16/h1-3,8-9H,4-7H2/b11-8-.
What are the key properties of (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one?
(5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 275.33 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-morpholin-4-yl-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 722605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).