1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C11H15NOS — CID 107003979

IUPAC1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2CC2(C)C)n1
InChIInChI=1S/C11H15NOS/c1-7-6-14-10(12-7)4-9(13)8-5-11(8,2)3/h6,8H,4-5H2,1-3H3
InChIKeyBDQDKIDYIGDNRW-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 107003979) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID107003979
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2CC2(C)C)n1
InChIInChI=1S/C11H15NOS/c1-7-6-14-10(12-7)4-9(13)8-5-11(8,2)3/h6,8H,4-5H2,1-3H3
InChIKeyBDQDKIDYIGDNRW-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116579981
1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
CID 131842856
CID 131842856
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789180
1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106600843
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116559994

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 107003979) is 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)C2CC2(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is BDQDKIDYIGDNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-6-14-10(12-7)4-9(13)8-5-11(8,2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 209.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 107003979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).