2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone

C16H18ClNOS — CID 107101733

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCc1c(Cl)cccc1C(=O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H18ClNOS/c1-10-11(6-5-7-12(10)17)13(19)8-15-18-14(9-20-15)16(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyGFBIGPOTSOXNRF-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.83
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone (PubChem CID 107101733) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
PubChem CID107101733
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
SMILESCc1c(Cl)cccc1C(=O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H18ClNOS/c1-10-11(6-5-7-12(10)17)13(19)8-15-18-14(9-20-15)16(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyGFBIGPOTSOXNRF-UHFFFAOYSA-N
XLogP4.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)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

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 115787127
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 107101754
1-(1-benzothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 115787084
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 79820179
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79820339
1-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]ethanone
CID 79816848
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750
1-[4-[2-(4-tert-butyl-1,3-thiazol-2-yl)acetyl]phenyl]propan-2-one
CID 149310897
(4-tert-butyl-1,3-thiazol-2-yl)methyl 3-amino-2-chlorobenzoate
CID 115936143
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 79820414
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-one
CID 116563946

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone (CID 107101733) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone is Cc1c(Cl)cccc1C(=O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
The InChIKey is GFBIGPOTSOXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-10-11(6-5-7-12(10)17)13(19)8-15-18-14(9-20-15)16(2,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone has a molecular weight of 307.85 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone is sourced from PubChem (CID 107101733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).