5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate

C10H8NO2S- — CID 20614837

IUPAC5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate
SMILESCc1sc(=O)n(-c2ccccc2)c1[O-]
InChIInChI=1S/C10H9NO2S/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-6,12H,1H3/p-1
InChIKeyZDEAXZWNGJELKY-UHFFFAOYSA-M
MW206.25 g/mol
LogP1.28
Rot. Bonds1

About 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate

5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate (PubChem CID 20614837) has the molecular formula C10H8NO2S- and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate.

Molecular Properties

Compound Name5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate
PubChem CID20614837
Molecular FormulaC10H8NO2S-
Molecular Weight206.25 g/mol
Exact Mass206.03
IUPAC Name5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate
SMILESCc1sc(=O)n(-c2ccccc2)c1[O-]
InChIInChI=1S/C10H9NO2S/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-6,12H,1H3/p-1
InChIKeyZDEAXZWNGJELKY-UHFFFAOYSA-M
XLogP1.28
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 14201302
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1-benzyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 15994737
3-anilino-4,5-dimethyl-1,3-thiazol-2-one
CID 12505543
7-methyl-3-phenylthiochromeno[2,3-d]pyrimidine-2,4-dione
CID 12886733
1,3-diphenylbenzimidazol-2-one
CID 22323486
3-(4-bromophenyl)-1,3-benzothiazol-2-one
CID 162440186
6-hydroxy-1,3-dimethyl-5-phenyl-6H-thieno[3,4-c]pyrrol-4-one
CID 102081922
3-acetyl-8-methyl-5-phenyl-16-thia-5,7-diaza-9-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,7,10,12,14-heptaen-4-olate
CID 12031997
4-hydroxy-1,5-dimethyl-3-phenylimidazol-2-one
CID 13382230
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
CID 165126064

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate?
The IUPAC name of 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate (CID 20614837) is 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate.
What is the SMILES notation for 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate?
The canonical SMILES for 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate is Cc1sc(=O)n(-c2ccccc2)c1[O-].
What is the InChIKey of 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate?
The InChIKey is ZDEAXZWNGJELKY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO2S/c1-7-9(12)11(10(13)14-7)8-5-3-2-4-6-8/h2-6,12H,1H3/p-1.
What are the key properties of 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate?
5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate has a molecular weight of 206.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-3-phenyl-1,3-thiazol-4-olate is sourced from PubChem (CID 20614837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).