8-methoxy-3-(thiadiazol-4-yl)chromen-2-one

C12H8N2O3S — CID 22424270

IUPAC8-methoxy-3-(thiadiazol-4-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3csnn3)c(=O)oc12
InChIInChI=1S/C12H8N2O3S/c1-16-10-4-2-3-7-5-8(9-6-18-14-13-9)12(15)17-11(7)10/h2-6H,1H3
InChIKeyLTEVFUYFSSJLGE-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.32
Rot. Bonds2

About 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one

8-methoxy-3-(thiadiazol-4-yl)chromen-2-one (PubChem CID 22424270) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(thiadiazol-4-yl)chromen-2-one
PubChem CID22424270
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name8-methoxy-3-(thiadiazol-4-yl)chromen-2-one
SMILESCOc1cccc2cc(-c3csnn3)c(=O)oc12
InChIInChI=1S/C12H8N2O3S/c1-16-10-4-2-3-7-5-8(9-6-18-14-13-9)12(15)17-11(7)10/h2-6H,1H3
InChIKeyLTEVFUYFSSJLGE-UHFFFAOYSA-N
XLogP2.32
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
CID 22424268
6-fluoro-3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
CID 7245845
4-Pentylsulfanyl-5-prop-2-enyl-3-(thiadiazol-4-yl)chromen-2-one
CID 88836180
3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
CID 5234367
6-Chloro-3-(thiadiazol-4-yl)chromen-2-one
CID 7245846
6-Methoxy-3-(thiadiazol-4-yl)chromen-2-one
CID 22424269
(3E)-8-methoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one
CID 47072955
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 47203639
8-Methoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one
CID 72047656
(3Z)-8-methoxy-3-(thiadiazol-4-ylmethylidene)chromen-4-one
CID 73951699
2-(Thiadiazol-4-yl)benzo[f]chromen-3-one
CID 100921269
6-Methyl-3-(thiadiazol-4-yl)chromen-2-one
CID 100921270

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one (CID 22424270) is 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one is COc1cccc2cc(-c3csnn3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
The InChIKey is LTEVFUYFSSJLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c1-16-10-4-2-3-7-5-8(9-6-18-14-13-9)12(15)17-11(7)10/h2-6H,1H3.
What are the key properties of 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
8-methoxy-3-(thiadiazol-4-yl)chromen-2-one has a molecular weight of 260.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(thiadiazol-4-yl)chromen-2-one is sourced from PubChem (CID 22424270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).