7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one

C11H6N2O3S — CID 22424375

IUPAC7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1csnn1
InChIInChI=1S/C11H6N2O3S/c14-7-2-1-6-3-8(9-5-17-13-12-9)11(15)16-10(6)4-7/h1-5,14H
InChIKeyIOQJSKYGWIPDJF-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.02
Rot. Bonds1

About 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one

7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one (PubChem CID 22424375) has the molecular formula C11H6N2O3S and a molecular weight of 246.25 g/mol. Its IUPAC name is 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one
PubChem CID22424375
Molecular FormulaC11H6N2O3S
Molecular Weight246.25 g/mol
Exact Mass246.01
IUPAC Name7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1csnn1
InChIInChI=1S/C11H6N2O3S/c14-7-2-1-6-3-8(9-5-17-13-12-9)11(15)16-10(6)4-7/h1-5,14H
InChIKeyIOQJSKYGWIPDJF-UHFFFAOYSA-N
XLogP2.02
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one?
The IUPAC name of 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one (CID 22424375) is 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one is O=c1oc2cc(O)ccc2cc1-c1csnn1.
What is the InChIKey of 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one?
The InChIKey is IOQJSKYGWIPDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3S/c14-7-2-1-6-3-8(9-5-17-13-12-9)11(15)16-10(6)4-7/h1-5,14H.
What are the key properties of 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one?
7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one has a molecular weight of 246.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(thiadiazol-4-yl)chromen-2-one is sourced from PubChem (CID 22424375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).