2-(thiadiazol-4-yl)benzo[f]chromen-3-one

C15H8N2O2S — CID 100921269

IUPAC2-(thiadiazol-4-yl)benzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1-c1csnn1
InChIInChI=1S/C15H8N2O2S/c18-15-12(13-8-20-17-16-13)7-11-10-4-2-1-3-9(10)5-6-14(11)19-15/h1-8H
InChIKeyCYHYIAIRPMUZKS-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.46
Rot. Bonds1

About 2-(thiadiazol-4-yl)benzo[f]chromen-3-one

2-(thiadiazol-4-yl)benzo[f]chromen-3-one (PubChem CID 100921269) has the molecular formula C15H8N2O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)benzo[f]chromen-3-one.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)benzo[f]chromen-3-one
PubChem CID100921269
Molecular FormulaC15H8N2O2S
Molecular Weight280.31 g/mol
Exact Mass280.03
IUPAC Name2-(thiadiazol-4-yl)benzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1-c1csnn1
InChIInChI=1S/C15H8N2O2S/c18-15-12(13-8-20-17-16-13)7-11-10-4-2-1-3-9(10)5-6-14(11)19-15/h1-8H
InChIKeyCYHYIAIRPMUZKS-UHFFFAOYSA-N
XLogP3.46
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
CID 7245845
Naphthalen-1-yl 4-methylthiadiazole-5-carboxylate
CID 50939750
4-Pentylsulfanyl-5-prop-2-enyl-3-(thiadiazol-4-yl)chromen-2-one
CID 88836180
Naphthalen-2-yl 4-methylthiadiazole-5-carboxylate
CID 141234625
3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
CID 5234367
(3-Oxobenzo[f]chromen-1-yl)methyl 4-ethylthiadiazole-5-carboxylate
CID 8535524
6-Methoxy-3-(thiadiazol-4-yl)chromen-2-one
CID 22424269
8-Methoxy-3-(thiadiazol-4-yl)chromen-2-one
CID 22424270
(E)-1-(6-methoxynaphthalen-2-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 45830256
(E)-1-(4-methoxynaphthalen-1-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 45830271
1-(4-Methoxynaphthalen-1-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 72050808
1-(6-Methoxynaphthalen-2-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
CID 72051006

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)benzo[f]chromen-3-one?
The IUPAC name of 2-(thiadiazol-4-yl)benzo[f]chromen-3-one (CID 100921269) is 2-(thiadiazol-4-yl)benzo[f]chromen-3-one.
What is the SMILES notation for 2-(thiadiazol-4-yl)benzo[f]chromen-3-one?
The canonical SMILES for 2-(thiadiazol-4-yl)benzo[f]chromen-3-one is O=c1oc2ccc3ccccc3c2cc1-c1csnn1.
What is the InChIKey of 2-(thiadiazol-4-yl)benzo[f]chromen-3-one?
The InChIKey is CYHYIAIRPMUZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2S/c18-15-12(13-8-20-17-16-13)7-11-10-4-2-1-3-9(10)5-6-14(11)19-15/h1-8H.
What are the key properties of 2-(thiadiazol-4-yl)benzo[f]chromen-3-one?
2-(thiadiazol-4-yl)benzo[f]chromen-3-one has a molecular weight of 280.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)benzo[f]chromen-3-one is sourced from PubChem (CID 100921269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).