4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid

C13H19NO3S — CID 114451058

IUPAC4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1CCOC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19NO3S/c1-9-12(18-8-14-9)6-7-17-11-4-2-10(3-5-11)13(15)16/h8,10-11H,2-7H2,1H3,(H,15,16)
InChIKeyJANBUZWPAQCGMU-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.65
Rot. Bonds5

About 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid (PubChem CID 114451058) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid
PubChem CID114451058
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1CCOC1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19NO3S/c1-9-12(18-8-14-9)6-7-17-11-4-2-10(3-5-11)13(15)16/h8,10-11H,2-7H2,1H3,(H,15,16)
InChIKeyJANBUZWPAQCGMU-UHFFFAOYSA-N
XLogP2.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
4-[[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531811
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192523
2-(4-methyl-1,3-thiazol-5-yl)ethyl N-cyclohexylcarbamate
CID 23797383
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319718
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanoic acid
CID 65444170
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]but-2-enoic acid
CID 76940783
2-(4-methyl-1,3-thiazol-5-yl)ethyl 2-ethoxypropanoate
CID 78873948
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid (CID 114451058) is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid is Cc1ncsc1CCOC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid?
The InChIKey is JANBUZWPAQCGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-12(18-8-14-9)6-7-17-11-4-2-10(3-5-11)13(15)16/h8,10-11H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid?
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid has a molecular weight of 269.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114451058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).