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

C10H9NOS — CID 12743054

IUPAC3-methyl-4-phenyl-1,3-thiazol-2-one
SMILESCn1c(-c2ccccc2)csc1=O
InChIInChI=1S/C10H9NOS/c1-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyTYHHTFPMBTXNRJ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.11
Rot. Bonds1

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

3-methyl-4-phenyl-1,3-thiazol-2-one (PubChem CID 12743054) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 3-methyl-4-phenyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-methyl-4-phenyl-1,3-thiazol-2-one
PubChem CID12743054
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name3-methyl-4-phenyl-1,3-thiazol-2-one
SMILESCn1c(-c2ccccc2)csc1=O
InChIInChI=1S/C10H9NOS/c1-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyTYHHTFPMBTXNRJ-UHFFFAOYSA-N
XLogP2.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-1,3-thiazol-2-one?
The IUPAC name of 3-methyl-4-phenyl-1,3-thiazol-2-one (CID 12743054) is 3-methyl-4-phenyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-methyl-4-phenyl-1,3-thiazol-2-one?
The canonical SMILES for 3-methyl-4-phenyl-1,3-thiazol-2-one is Cn1c(-c2ccccc2)csc1=O.
What is the InChIKey of 3-methyl-4-phenyl-1,3-thiazol-2-one?
The InChIKey is TYHHTFPMBTXNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-11-9(7-13-10(11)12)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 3-methyl-4-phenyl-1,3-thiazol-2-one?
3-methyl-4-phenyl-1,3-thiazol-2-one has a molecular weight of 191.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-1,3-thiazol-2-one is sourced from PubChem (CID 12743054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).