1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one

C15H17NOS — CID 82301236

IUPAC1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1sc(-c2cc(C)ccc2C)nc1C
InChIInChI=1S/C15H17NOS/c1-9-5-6-10(2)13(7-9)15-16-12(4)14(18-15)8-11(3)17/h5-7H,8H2,1-4H3
InChIKeyDZLBFUGXHDPVEN-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.87
Rot. Bonds3

About 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one

1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one (PubChem CID 82301236) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
PubChem CID82301236
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1sc(-c2cc(C)ccc2C)nc1C
InChIInChI=1S/C15H17NOS/c1-9-5-6-10(2)13(7-9)15-16-12(4)14(18-15)8-11(3)17/h5-7H,8H2,1-4H3
InChIKeyDZLBFUGXHDPVEN-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 116886434
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 131616366
4-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886465
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
4-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]butan-2-one
CID 116886466
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329225
[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 59337873
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one (CID 82301236) is 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1sc(-c2cc(C)ccc2C)nc1C.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is DZLBFUGXHDPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-9-5-6-10(2)13(7-9)15-16-12(4)14(18-15)8-11(3)17/h5-7H,8H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one?
1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 82301236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).