6-(1,3-thiazol-2-yl)chromen-2-one

C12H7NO2S — CID 134159696

IUPAC6-(1,3-thiazol-2-yl)chromen-2-one
SMILESO=c1ccc2cc(-c3nccs3)ccc2o1
InChIInChI=1S/C12H7NO2S/c14-11-4-2-8-7-9(1-3-10(8)15-11)12-13-5-6-16-12/h1-7H
InChIKeyWCKLJBFEWKNXIU-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.92
Rot. Bonds1

About 6-(1,3-thiazol-2-yl)chromen-2-one

6-(1,3-thiazol-2-yl)chromen-2-one (PubChem CID 134159696) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yl)chromen-2-one
PubChem CID134159696
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name6-(1,3-thiazol-2-yl)chromen-2-one
SMILESO=c1ccc2cc(-c3nccs3)ccc2o1
InChIInChI=1S/C12H7NO2S/c14-11-4-2-8-7-9(1-3-10(8)15-11)12-13-5-6-16-12/h1-7H
InChIKeyWCKLJBFEWKNXIU-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

{Methyl-[2-(3-thiazol-2-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 44444281
2-(5-(Thiazol-2-yl)biphenyl-2-yloxy)acetic acid
CID 54581774
3-(4-{[3-(1,3-Thiazol-2-yl)benzyl]oxy}phenyl)propanoic Acid
CID 23159846
Benzoic acid, 2-methoxy-5-(2-thiazolyl)-
CID 215200
3-(1,3-Thiazol-2-yl)-4-(trifluoromethyl)chromen-2-one
CID 134912142
2-(4-Methoxy-phenyl)-thiazole
CID 11298449
Thiazolylcoumarin
CID 21856046
4-Butoxyphenyl thiazole
CID 59143748
Bisthiazolylcoumarin
CID 123296227
Pentafluorophenyl 3-(1,3-thiazol-2-yl)benzoate
CID 24229480
2-[4-(Difluoromethoxy)phenyl]-1,3-thiazole
CID 66694969
2-[4-(Trifluoromethoxy)phenyl]-1,3-thiazole
CID 66694987

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yl)chromen-2-one?
The IUPAC name of 6-(1,3-thiazol-2-yl)chromen-2-one (CID 134159696) is 6-(1,3-thiazol-2-yl)chromen-2-one.
What is the SMILES notation for 6-(1,3-thiazol-2-yl)chromen-2-one?
The canonical SMILES for 6-(1,3-thiazol-2-yl)chromen-2-one is O=c1ccc2cc(-c3nccs3)ccc2o1.
What is the InChIKey of 6-(1,3-thiazol-2-yl)chromen-2-one?
The InChIKey is WCKLJBFEWKNXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-11-4-2-8-7-9(1-3-10(8)15-11)12-13-5-6-16-12/h1-7H.
What are the key properties of 6-(1,3-thiazol-2-yl)chromen-2-one?
6-(1,3-thiazol-2-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 6-(1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 134159696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).