2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone

C13H15NOS — CID 57239676

IUPAC2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone
SMILESCC1=C(C)N(CC(=O)c2ccccc2)CS1
InChIInChI=1S/C13H15NOS/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyFFELZJZEHUFDMF-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.13
Rot. Bonds3

About 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone

2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone (PubChem CID 57239676) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone
PubChem CID57239676
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone
SMILESCC1=C(C)N(CC(=O)c2ccccc2)CS1
InChIInChI=1S/C13H15NOS/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyFFELZJZEHUFDMF-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone?
The IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone (CID 57239676) is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone is CC1=C(C)N(CC(=O)c2ccccc2)CS1.
What is the InChIKey of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone?
The InChIKey is FFELZJZEHUFDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone?
2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone has a molecular weight of 233.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-phenylethanone is sourced from PubChem (CID 57239676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).