(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one

C17H16N2O3S — CID 700547

IUPAC(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/C1=Cc2ccccc2OC1
InChIInChI=1S/C17H16N2O3S/c20-16-15(23-17(18-16)19-5-7-21-8-6-19)10-12-9-13-3-1-2-4-14(13)22-11-12/h1-4,9-10H,5-8,11H2/b15-10+
InChIKeyGCGRCTVWLSKSEZ-XNTDXEJSSA-N
MW328.39 g/mol
LogP2.31
Rot. Bonds1

About (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one

(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 700547) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID700547
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/C1=Cc2ccccc2OC1
InChIInChI=1S/C17H16N2O3S/c20-16-15(23-17(18-16)19-5-7-21-8-6-19)10-12-9-13-3-1-2-4-14(13)22-11-12/h1-4,9-10H,5-8,11H2/b15-10+
InChIKeyGCGRCTVWLSKSEZ-XNTDXEJSSA-N
XLogP2.31
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.31
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 (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one (CID 700547) is (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/C1=Cc2ccccc2OC1.
What is the InChIKey of (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is GCGRCTVWLSKSEZ-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-16-15(23-17(18-16)19-5-7-21-8-6-19)10-12-9-13-3-1-2-4-14(13)22-11-12/h1-4,9-10H,5-8,11H2/b15-10+.
What are the key properties of (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 328.39 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2H-chromen-3-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 700547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).