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

C18H16N2O4S2 — CID 16644544

IUPAC3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one
SMILESO=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)N1CCOCC1
InChIInChI=1S/C18H16N2O4S2/c21-16(20-5-7-23-8-6-20)11-26-18-19-14(10-25-18)13-9-12-3-1-2-4-15(12)24-17(13)22/h1-4,9-10H,5-8,11H2
InChIKeyWMVRRWKNVZIGGB-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.87
Rot. Bonds4

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

3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 16644544) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one
PubChem CID16644544
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one
SMILESO=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)N1CCOCC1
InChIInChI=1S/C18H16N2O4S2/c21-16(20-5-7-23-8-6-20)11-26-18-19-14(10-25-18)13-9-12-3-1-2-4-15(12)24-17(13)22/h1-4,9-10H,5-8,11H2
InChIKeyWMVRRWKNVZIGGB-UHFFFAOYSA-N
XLogP2.87
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one with MolForge

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Related Compounds

4-morpholin-4-yl-4-oxo-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]butanamide
CID 1307730
3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
CID 8005733
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 27185048
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 705931
3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
CID 71419333
1-(4-methylpiperazin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 119040973
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
N-phenyl-4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperazine-1-carboxamide
CID 24518805
3-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one
CID 1288593
N'-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-N-(2-pyrrolidin-1-ylethyl)butanediamide
CID 126479036
3-[2-(2-aminoethenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 154050171

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one (CID 16644544) is 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one is O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)N1CCOCC1.
What is the InChIKey of 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is WMVRRWKNVZIGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c21-16(20-5-7-23-8-6-20)11-26-18-19-14(10-25-18)13-9-12-3-1-2-4-15(12)24-17(13)22/h1-4,9-10H,5-8,11H2.
What are the key properties of 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one?
3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 388.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 16644544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).