1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one

C11H17NOS — CID 65168530

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
SMILESCc1nc(CC(=O)C(C)(C)C)sc1C
InChIInChI=1S/C11H17NOS/c1-7-8(2)14-10(12-7)6-9(13)11(3,4)5/h6H2,1-5H3
InChIKeyPCSRBKOHANSVSC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.92
Rot. Bonds2

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one (PubChem CID 65168530) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
PubChem CID65168530
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
SMILESCc1nc(CC(=O)C(C)(C)C)sc1C
InChIInChI=1S/C11H17NOS/c1-7-8(2)14-10(12-7)6-9(13)11(3,4)5/h6H2,1-5H3
InChIKeyPCSRBKOHANSVSC-UHFFFAOYSA-N
XLogP2.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one 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

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methoxy-3-methylpentan-2-one
CID 116746634
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4,6,6-trimethylheptan-2-one
CID 115789428
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N,2,2-trimethylbutanamide
CID 141489532
3-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 115789480
1-[2-(aminomethyl)cyclopentyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116584290
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 90750228
1-(4-aminocyclohexyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116557313
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105120821
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139169

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one (CID 65168530) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one is Cc1nc(CC(=O)C(C)(C)C)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one?
The InChIKey is PCSRBKOHANSVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7-8(2)14-10(12-7)6-9(13)11(3,4)5/h6H2,1-5H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one has a molecular weight of 211.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 65168530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).