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

C10H9NOS — CID 170923803

IUPAC5-methyl-4-phenyl-5H-1,3-thiazol-2-one
SMILESCC1SC(=O)N=C1c1ccccc1
InChIInChI=1S/C10H9NOS/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyBZJOAGJIDHMOMC-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.73
Rot. Bonds1

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

5-methyl-4-phenyl-5H-1,3-thiazol-2-one (PubChem CID 170923803) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-methyl-4-phenyl-5H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-methyl-4-phenyl-5H-1,3-thiazol-2-one
PubChem CID170923803
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name5-methyl-4-phenyl-5H-1,3-thiazol-2-one
SMILESCC1SC(=O)N=C1c1ccccc1
InChIInChI=1S/C10H9NOS/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyBZJOAGJIDHMOMC-UHFFFAOYSA-N
XLogP2.73
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-5H-1,3-thiazol-2-one?
The IUPAC name of 5-methyl-4-phenyl-5H-1,3-thiazol-2-one (CID 170923803) is 5-methyl-4-phenyl-5H-1,3-thiazol-2-one.
What is the SMILES notation for 5-methyl-4-phenyl-5H-1,3-thiazol-2-one?
The canonical SMILES for 5-methyl-4-phenyl-5H-1,3-thiazol-2-one is CC1SC(=O)N=C1c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-5H-1,3-thiazol-2-one?
The InChIKey is BZJOAGJIDHMOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-7-9(11-10(12)13-7)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-methyl-4-phenyl-5H-1,3-thiazol-2-one?
5-methyl-4-phenyl-5H-1,3-thiazol-2-one has a molecular weight of 191.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-5H-1,3-thiazol-2-one is sourced from PubChem (CID 170923803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).