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

C12H8N2O3S — CID 22424269

IUPAC6-methoxy-3-(thiadiazol-4-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3csnn3)cc2c1
InChIInChI=1S/C12H8N2O3S/c1-16-8-2-3-11-7(4-8)5-9(12(15)17-11)10-6-18-14-13-10/h2-6H,1H3
InChIKeyICECPMBSZXFISD-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.32
Rot. Bonds2

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

6-methoxy-3-(thiadiazol-4-yl)chromen-2-one (PubChem CID 22424269) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-(thiadiazol-4-yl)chromen-2-one
PubChem CID22424269
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name6-methoxy-3-(thiadiazol-4-yl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3csnn3)cc2c1
InChIInChI=1S/C12H8N2O3S/c1-16-8-2-3-11-7(4-8)5-9(12(15)17-11)10-6-18-14-13-10/h2-6H,1H3
InChIKeyICECPMBSZXFISD-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'}

Analyze 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015218
2-Methylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015220
2,3-Dimethylphenyl 4-methyl-1,2,3-thiadiazole-5-carboxylate
CID 16015244
6-bromo-3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
CID 22424268
7-Hydroxy-3-(thiadiazol-4-yl)chromen-2-one
CID 22424375
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-Phenoxyphenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 141868434
3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
CID 5234367
6-Chloro-3-(thiadiazol-4-yl)chromen-2-one
CID 7245846
(7-Ethyl-2-oxochromen-4-yl)methyl 4-ethylthiadiazole-5-carboxylate
CID 8535400
8-Methoxy-3-(thiadiazol-4-yl)chromen-2-one
CID 22424270

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
The IUPAC name of 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one (CID 22424269) is 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one.
What is the SMILES notation for 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
The canonical SMILES for 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one is COc1ccc2oc(=O)c(-c3csnn3)cc2c1.
What is the InChIKey of 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
The InChIKey is ICECPMBSZXFISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c1-16-8-2-3-11-7(4-8)5-9(12(15)17-11)10-6-18-14-13-10/h2-6H,1H3.
What are the key properties of 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one?
6-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 6-methoxy-3-(thiadiazol-4-yl)chromen-2-one is sourced from PubChem (CID 22424269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).