1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone

C15H17NOS — CID 82121319

IUPAC1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCc1ccc(Cc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C15H17NOS/c1-4-12-5-7-13(8-6-12)9-14-16-10(2)15(18-14)11(3)17/h5-8H,4,9H2,1-3H3
InChIKeySJSMTSTYOGPDBF-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.81
Rot. Bonds4

About 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82121319) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID82121319
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCc1ccc(Cc2nc(C)c(C(C)=O)s2)cc1
InChIInChI=1S/C15H17NOS/c1-4-12-5-7-13(8-6-12)9-14-16-10(2)15(18-14)11(3)17/h5-8H,4,9H2,1-3H3
InChIKeySJSMTSTYOGPDBF-UHFFFAOYSA-N
XLogP3.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 68982830
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
1-[2-[(4-hydroxy-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 1482075
4-methyl-2-[(4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 83969593
(2-ethoxyphenyl) 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 55667253
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110387274
methyl 2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 113288023
1-[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66070248

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 82121319) is 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone is CCc1ccc(Cc2nc(C)c(C(C)=O)s2)cc1.
What is the InChIKey of 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is SJSMTSTYOGPDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-4-12-5-7-13(8-6-12)9-14-16-10(2)15(18-14)11(3)17/h5-8H,4,9H2,1-3H3.
What are the key properties of 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 259.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82121319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).