3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one

C18H16N2O3S2 — CID 8005733

IUPAC3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(CC(=S)N2CCOCC2)n1
InChIInChI=1S/C18H16N2O3S2/c21-18-13(9-12-3-1-2-4-15(12)23-18)14-11-25-16(19-14)10-17(24)20-5-7-22-8-6-20/h1-4,9,11H,5-8,10H2
InChIKeyHWGOGVTTXTZAHD-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.12
Rot. Bonds3

About 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one

3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 8005733) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
PubChem CID8005733
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1csc(CC(=S)N2CCOCC2)n1
InChIInChI=1S/C18H16N2O3S2/c21-18-13(9-12-3-1-2-4-15(12)23-18)14-11-25-16(19-14)10-17(24)20-5-7-22-8-6-20/h1-4,9,11H,5-8,10H2
InChIKeyHWGOGVTTXTZAHD-UHFFFAOYSA-N
XLogP3.12
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one (CID 8005733) is 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one is O=c1oc2ccccc2cc1-c1csc(CC(=S)N2CCOCC2)n1.
What is the InChIKey of 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is HWGOGVTTXTZAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c21-18-13(9-12-3-1-2-4-15(12)23-18)14-11-25-16(19-14)10-17(24)20-5-7-22-8-6-20/h1-4,9,11H,5-8,10H2.
What are the key properties of 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one?
3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 372.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 8005733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).