1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone

C17H21NOS — CID 82430136

IUPAC1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)=O
InChIInChI=1S/C17H21NOS/c1-6-14-15(11(2)19)20-16(18-14)12-7-9-13(10-8-12)17(3,4)5/h7-10H,6H2,1-5H3
InChIKeyZABBECIPBDNHNS-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.87
Rot. Bonds3

About 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone

1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone (PubChem CID 82430136) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
PubChem CID82430136
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)=O
InChIInChI=1S/C17H21NOS/c1-6-14-15(11(2)19)20-16(18-14)12-7-9-13(10-8-12)17(3,4)5/h7-10H,6H2,1-5H3
InChIKeyZABBECIPBDNHNS-UHFFFAOYSA-N
XLogP4.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-ol
CID 82430134
1-[2-(4-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82431610
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234
1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 82430291
4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 70479920
1-[4-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
CID 6421436
1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 82438655
1-(2-amino-4-ethyl-1,3-thiazol-5-yl)ethanone
CID 13485346
3-(4-tert-butylphenyl)-6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035472
2-[4-(2,6-dimethylphenoxy)phenyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 22684855
2-(3-bromo-4-fluorophenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 113459194
2-(4-tert-butylphenyl)-4-(methoxymethyl)-1,3-thiazole-5-carbonitrile
CID 82441245

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone (CID 82430136) is 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone is CCc1nc(-c2ccc(C(C)(C)C)cc2)sc1C(C)=O.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is ZABBECIPBDNHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-6-14-15(11(2)19)20-16(18-14)12-7-9-13(10-8-12)17(3,4)5/h7-10H,6H2,1-5H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 287.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82430136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).