5-methyl-2-phenyl-1,3-thiazol-4-one

C10H9NOS — CID 132563734

IUPAC5-methyl-2-phenyl-1,3-thiazol-4-one
SMILESCC1SC(c2ccccc2)=NC1=O
InChIInChI=1S/C10H9NOS/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyRLPSZWKYDNTEPH-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.10
Rot. Bonds1

About 5-methyl-2-phenyl-1,3-thiazol-4-one

5-methyl-2-phenyl-1,3-thiazol-4-one (PubChem CID 132563734) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-1,3-thiazol-4-one
PubChem CID132563734
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name5-methyl-2-phenyl-1,3-thiazol-4-one
SMILESCC1SC(c2ccccc2)=NC1=O
InChIInChI=1S/C10H9NOS/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyRLPSZWKYDNTEPH-UHFFFAOYSA-N
XLogP2.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiazole, 4,5-dihydro-2-phenyl-
CID 200788
(5Z)-2-(4-methylphenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
CID 2718951
5-Methyl-2-phenyl-4,5-dihydro-1,3-thiazole
CID 211414
4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-phenyl-
CID 120429
Thiazole, 4,5-dihydro-2-(4-methylphenyl)-
CID 202678
5-benzylidene-2-p-tolylthiazol-4(5H)-one
CID 5455586
5H-1,3-Thiazine-4,6-dione, 2-(benzylthio)-
CID 207686
6H-1,3,5-Oxathiazine, 2-methyl-4-phenyl-
CID 3042018
2-Phenylthiazol-4-one
CID 2748720
Thiazolium, 4,5-dihydro-3-methyl-2-phenyl-, iodide
CID 213651
Thiazole, 4,5-dihydro-2-(3-methylphenyl)-
CID 3024542
Benzenecarboximidothioic acid, N-methyl-, methyl ester
CID 521011

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of 5-methyl-2-phenyl-1,3-thiazol-4-one (CID 132563734) is 5-methyl-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for 5-methyl-2-phenyl-1,3-thiazol-4-one is CC1SC(c2ccccc2)=NC1=O.
What is the InChIKey of 5-methyl-2-phenyl-1,3-thiazol-4-one?
The InChIKey is RLPSZWKYDNTEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-methyl-2-phenyl-1,3-thiazol-4-one?
5-methyl-2-phenyl-1,3-thiazol-4-one has a molecular weight of 191.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 132563734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).