1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

C15H19NOS — CID 158823492

IUPAC1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
SMILESCC(C)(C)c1ccc(C(=O)CC2=NCCS2)cc1
InChIInChI=1S/C15H19NOS/c1-15(2,3)12-6-4-11(5-7-12)13(17)10-14-16-8-9-18-14/h4-7H,8-10H2,1-3H3
InChIKeyIWDVYLLJUNWOHM-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone

1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone (PubChem CID 158823492) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
PubChem CID158823492
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone
SMILESCC(C)(C)c1ccc(C(=O)CC2=NCCS2)cc1
InChIInChI=1S/C15H19NOS/c1-15(2,3)12-6-4-11(5-7-12)13(17)10-14-16-8-9-18-14/h4-7H,8-10H2,1-3H3
InChIKeyIWDVYLLJUNWOHM-UHFFFAOYSA-N
XLogP3.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]benzamide
CID 51185357
2-(4-tert-butylphenyl)-4,5-dihydro-1,3-thiazole
CID 165346704
1-(4-tert-butylphenyl)-2-[N-(5,6-dihydro-4H-1,3-thiazin-2-yl)anilino]ethanone
CID 4751370
1,5-bis(4-tert-butylphenyl)pentane-1,3,5-trione
CID 66932735
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
CID 157428380
CID 157428380
methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
CID 2757311
1-(4-tert-butylphenyl)-3-(4-phosphanylphenyl)propane-1,3-dione
CID 59129999
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-one
CID 115792152
1-(4-tert-butylphenyl)-3-(2,5-dimethylthiophen-3-yl)propane-1,3-dione
CID 86680885
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone (CID 158823492) is 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone is CC(C)(C)c1ccc(C(=O)CC2=NCCS2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone?
The InChIKey is IWDVYLLJUNWOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-15(2,3)12-6-4-11(5-7-12)13(17)10-14-16-8-9-18-14/h4-7H,8-10H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone?
1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone has a molecular weight of 261.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158823492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).