potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one

C12H8KNO3S — CID 173089643

IUPACpotassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one
SMILESO=c1ccc2ccc(Oc3nccs3)cc2o1.[H-].[K+]
InChIInChI=1S/C12H7NO3S.K.H/c14-11-4-2-8-1-3-9(7-10(8)16-11)15-12-13-5-6-17-12;;/h1-7H;;/q;+1;-1
InChIKeyJHZAILODGFXNAB-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.16
Rot. Bonds2

About potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one

potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one (PubChem CID 173089643) has the molecular formula C12H8KNO3S and a molecular weight of 285.37 g/mol. Its IUPAC name is potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one.

Molecular Properties

Compound Namepotassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one
PubChem CID173089643
Molecular FormulaC12H8KNO3S
Molecular Weight285.37 g/mol
Exact Mass284.99
IUPAC Namepotassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one
SMILESO=c1ccc2ccc(Oc3nccs3)cc2o1.[H-].[K+]
InChIInChI=1S/C12H7NO3S.K.H/c14-11-4-2-8-1-3-9(7-10(8)16-11)15-12-13-5-6-17-12;;/h1-7H;;/q;+1;-1
InChIKeyJHZAILODGFXNAB-UHFFFAOYSA-N
XLogP0.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-7-yl) hypoiodite
CID 138751183
4-(1,3-thiazol-2-yloxy)benzene-1,2-diamine
CID 21482771
7-ethynoxychromen-2-one
CID 167427809
7-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethoxy]chromen-2-one
CID 7996007
7-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]chromen-2-one
CID 38866745
2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-thiazole
CID 173078203
potassium (2-oxochromen-7-yl) sulfate
CID 46781774
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
CID 2705029
7-(2-phenylphenoxy)chromen-2-one
CID 168853409
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one?
The IUPAC name of potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one (CID 173089643) is potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one.
What is the SMILES notation for potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one?
The canonical SMILES for potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one is O=c1ccc2ccc(Oc3nccs3)cc2o1.[H-].[K+].
What is the InChIKey of potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one?
The InChIKey is JHZAILODGFXNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3S.K.H/c14-11-4-2-8-1-3-9(7-10(8)16-11)15-12-13-5-6-17-12;;/h1-7H;;/q;+1;-1.
What are the key properties of potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one?
potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one has a molecular weight of 285.37 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;7-(1,3-thiazol-2-yloxy)chromen-2-one is sourced from PubChem (CID 173089643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).