3-(1,3-thiazol-5-yl)chromen-2-one

C12H7NO2S — CID 141217144

IUPAC3-(1,3-thiazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cncs1
InChIInChI=1S/C12H7NO2S/c14-12-9(11-6-13-7-16-11)5-8-3-1-2-4-10(8)15-12/h1-7H
InChIKeyDCROIVWSLUXRRN-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.92
Rot. Bonds1

About 3-(1,3-thiazol-5-yl)chromen-2-one

3-(1,3-thiazol-5-yl)chromen-2-one (PubChem CID 141217144) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1,3-thiazol-5-yl)chromen-2-one
PubChem CID141217144
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name3-(1,3-thiazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cncs1
InChIInChI=1S/C12H7NO2S/c14-12-9(11-6-13-7-16-11)5-8-3-1-2-4-10(8)15-12/h1-7H
InChIKeyDCROIVWSLUXRRN-UHFFFAOYSA-N
XLogP2.92
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Amino-1,3-thiazol-5-yl)chromen-2-one
CID 666986
4-[2-(1,3-Thiazol-5-yl)ethoxy]benzoic acid
CID 13457598
3-(2-Hexyl-1,3-thiazol-5-yl)-6-hydroxy-7-phenylchromen-2-one
CID 44522035
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134912142
6-methoxy-3-(2-methylthiazol-5-yl)-2H-chromen-2-one
CID 765556
2-(2-Methyl-1,3-thiazol-5-yl)benzo[f]chromen-3-one
CID 1547929
Thiazolylcoumarin
CID 21856046
3-(5-Thiazolyl)chromone
CID 69535304
4-(4-Fluorophenyl)-7-[(5-propan-2-yl-1,3-thiazol-2-yl)sulfanyl]chromen-2-one
CID 87461372
4-Fluoro-7-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]sulfanyl]chromen-2-one
CID 87462211
7-[[5-(Cyclopenten-1-yl)-1,3-thiazol-2-yl]sulfanyl]-4-(4-fluorophenyl)chromen-2-one
CID 87462474
7-[(5-Cyclopenta-1,3-dien-1-yl-1,3-thiazol-2-yl)sulfanyl]-4-(4-fluorophenyl)chromen-2-one
CID 87462475

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-yl)chromen-2-one?
The IUPAC name of 3-(1,3-thiazol-5-yl)chromen-2-one (CID 141217144) is 3-(1,3-thiazol-5-yl)chromen-2-one.
What is the SMILES notation for 3-(1,3-thiazol-5-yl)chromen-2-one?
The canonical SMILES for 3-(1,3-thiazol-5-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1cncs1.
What is the InChIKey of 3-(1,3-thiazol-5-yl)chromen-2-one?
The InChIKey is DCROIVWSLUXRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-12-9(11-6-13-7-16-11)5-8-3-1-2-4-10(8)15-12/h1-7H.
What are the key properties of 3-(1,3-thiazol-5-yl)chromen-2-one?
3-(1,3-thiazol-5-yl)chromen-2-one has a molecular weight of 229.26 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-yl)chromen-2-one is sourced from PubChem (CID 141217144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).