4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one

C11H11NOS — CID 14220779

IUPAC4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one
SMILESCc1ccccc1-n1c(C)csc1=O
InChIInChI=1S/C11H11NOS/c1-8-5-3-4-6-10(8)12-9(2)7-14-11(12)13/h3-7H,1-2H3
InChIKeyWXOQUIRBTZSUHZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.52
Rot. Bonds1

About 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one

4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one (PubChem CID 14220779) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one
PubChem CID14220779
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one
SMILESCc1ccccc1-n1c(C)csc1=O
InChIInChI=1S/C11H11NOS/c1-8-5-3-4-6-10(8)12-9(2)7-14-11(12)13/h3-7H,1-2H3
InChIKeyWXOQUIRBTZSUHZ-UHFFFAOYSA-N
XLogP2.52
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one (CID 14220779) is 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one is Cc1ccccc1-n1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one?
The InChIKey is WXOQUIRBTZSUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-5-3-4-6-10(8)12-9(2)7-14-11(12)13/h3-7H,1-2H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one?
4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one has a molecular weight of 205.28 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)-1,3-thiazol-2-one is sourced from PubChem (CID 14220779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).