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

C14H21NOS — CID 80602505

IUPAC1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CCCCCCC2)cs1
InChIInChI=1S/C14H21NOS/c1-11-15-13(10-17-11)9-14(16)12-7-5-3-2-4-6-8-12/h10,12H,2-9H2,1H3
InChIKeyVQWCLKGTGCCPSA-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.92
Rot. Bonds3

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

1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 80602505) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID80602505
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CCCCCCC2)cs1
InChIInChI=1S/C14H21NOS/c1-11-15-13(10-17-11)9-14(16)12-7-5-3-2-4-6-8-12/h10,12H,2-9H2,1H3
InChIKeyVQWCLKGTGCCPSA-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 112680639
N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 54942911
N-(2-hydroxycycloheptyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 113394918
N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46966961
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116586079
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 80602505) is 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)C2CCCCCCC2)cs1.
What is the InChIKey of 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is VQWCLKGTGCCPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-15-13(10-17-11)9-14(16)12-7-5-3-2-4-6-8-12/h10,12H,2-9H2,1H3.
What are the key properties of 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 251.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 80602505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).