7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one

C13H10N2O3S — CID 15896028

IUPAC7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one
SMILESCc1cc(=O)oc2c(C)c(O)c(-c3csnn3)cc12
InChIInChI=1S/C13H10N2O3S/c1-6-3-11(16)18-13-7(2)12(17)9(4-8(6)13)10-5-19-15-14-10/h3-5,17H,1-2H3
InChIKeyPGSKABYSKOPNJG-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.63
Rot. Bonds1

About 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one

7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one (PubChem CID 15896028) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one
PubChem CID15896028
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one
SMILESCc1cc(=O)oc2c(C)c(O)c(-c3csnn3)cc12
InChIInChI=1S/C13H10N2O3S/c1-6-3-11(16)18-13-7(2)12(17)9(4-8(6)13)10-5-19-15-14-10/h3-5,17H,1-2H3
InChIKeyPGSKABYSKOPNJG-UHFFFAOYSA-N
XLogP2.63
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-4,8-dimethyl-6-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazol-5-yl]chromen-2-one
CID 137250190
8-[(benzylamino)methyl]-7-hydroxy-4-methyl-6-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
CID 134159715
7-hydroxy-8-methyl-6-nitro-4-phenylchromen-2-one
CID 122537803
2-(hydroxymethyl)-3,5,9-trimethylfuro[3,2-g]chromen-7-one
CID 18612305
8-amino-6-ethyl-7-hydroxy-4-methylchromen-2-one
CID 71342682
8-(1,3-benzothiazol-2-yl)-7-hydroxy-4-methylchromen-2-one
CID 136912374
6-ethyl-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 102598102
6-(2-aminopyrimidin-4-yl)-7-hydroxy-3,4,8-trimethylchromen-2-one
CID 135629337
7-hydroxy-4,6-dimethyl-8-prop-2-enylchromen-2-one
CID 13298920
4-(4-fluorophenyl)-7-hydroxy-8-methylchromen-2-one
CID 59814860
7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135758956
3-tert-butyl-5,9-dimethylfuro[3,2-g]chromen-7-one
CID 907312

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one?
The IUPAC name of 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one (CID 15896028) is 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one?
The canonical SMILES for 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one is Cc1cc(=O)oc2c(C)c(O)c(-c3csnn3)cc12.
What is the InChIKey of 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one?
The InChIKey is PGSKABYSKOPNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-6-3-11(16)18-13-7(2)12(17)9(4-8(6)13)10-5-19-15-14-10/h3-5,17H,1-2H3.
What are the key properties of 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one?
7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one has a molecular weight of 274.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,8-dimethyl-6-(thiadiazol-4-yl)chromen-2-one is sourced from PubChem (CID 15896028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).