6-chloro-3-(thiadiazol-4-yl)chromen-2-one

C11H5ClN2O2S — CID 7245846

IUPAC6-chloro-3-(thiadiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1csnn1
InChIInChI=1S/C11H5ClN2O2S/c12-7-1-2-10-6(3-7)4-8(11(15)16-10)9-5-17-14-13-9/h1-5H
InChIKeyWXKWARMDICZDNE-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.96
Rot. Bonds1

About 6-chloro-3-(thiadiazol-4-yl)chromen-2-one

6-chloro-3-(thiadiazol-4-yl)chromen-2-one (PubChem CID 7245846) has the molecular formula C11H5ClN2O2S and a molecular weight of 264.69 g/mol. Its IUPAC name is 6-chloro-3-(thiadiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-(thiadiazol-4-yl)chromen-2-one
PubChem CID7245846
Molecular FormulaC11H5ClN2O2S
Molecular Weight264.69 g/mol
Exact Mass263.98
IUPAC Name6-chloro-3-(thiadiazol-4-yl)chromen-2-one
SMILESO=c1oc2ccc(Cl)cc2cc1-c1csnn1
InChIInChI=1S/C11H5ClN2O2S/c12-7-1-2-10-6(3-7)4-8(11(15)16-10)9-5-17-14-13-9/h1-5H
InChIKeyWXKWARMDICZDNE-UHFFFAOYSA-N
XLogP2.96
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(thiadiazol-4-yl)chromen-2-one?
The IUPAC name of 6-chloro-3-(thiadiazol-4-yl)chromen-2-one (CID 7245846) is 6-chloro-3-(thiadiazol-4-yl)chromen-2-one.
What is the SMILES notation for 6-chloro-3-(thiadiazol-4-yl)chromen-2-one?
The canonical SMILES for 6-chloro-3-(thiadiazol-4-yl)chromen-2-one is O=c1oc2ccc(Cl)cc2cc1-c1csnn1.
What is the InChIKey of 6-chloro-3-(thiadiazol-4-yl)chromen-2-one?
The InChIKey is WXKWARMDICZDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClN2O2S/c12-7-1-2-10-6(3-7)4-8(11(15)16-10)9-5-17-14-13-9/h1-5H.
What are the key properties of 6-chloro-3-(thiadiazol-4-yl)chromen-2-one?
6-chloro-3-(thiadiazol-4-yl)chromen-2-one has a molecular weight of 264.69 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(thiadiazol-4-yl)chromen-2-one is sourced from PubChem (CID 7245846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).