2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid

C15H23NO2S — CID 114359658

IUPAC2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2CCCCCCC2)sc1C(=O)O
InChIInChI=1S/C15H23NO2S/c1-2-8-12-13(15(17)18)19-14(16-12)11-9-6-4-3-5-7-10-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyYDVJRUDDOCPWGU-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.62
Rot. Bonds4

About 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid

2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359658) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359658
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2CCCCCCC2)sc1C(=O)O
InChIInChI=1S/C15H23NO2S/c1-2-8-12-13(15(17)18)19-14(16-12)11-9-6-4-3-5-7-10-11/h11H,2-10H2,1H3,(H,17,18)
InChIKeyYDVJRUDDOCPWGU-UHFFFAOYSA-N
XLogP4.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
CID 82432421
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
2-[cyclohexyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765774
N-[(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432400
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389
4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764931
2-(1,1-dioxothiolan-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838235

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114359658) is 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(C2CCCCCCC2)sc1C(=O)O.
What is the InChIKey of 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YDVJRUDDOCPWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-8-12-13(15(17)18)19-14(16-12)11-9-6-4-3-5-7-10-11/h11H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid?
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).