4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid

C13H19NO2S — CID 114359413

IUPAC4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(C2CCCC2)sc1C(=O)O
InChIInChI=1S/C13H19NO2S/c1-13(2,3)10-9(12(15)16)17-11(14-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyQAPQHJGEOKSSIU-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.80
Rot. Bonds2

About 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359413) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359413
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(C2CCCC2)sc1C(=O)O
InChIInChI=1S/C13H19NO2S/c1-13(2,3)10-9(12(15)16)17-11(14-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyQAPQHJGEOKSSIU-UHFFFAOYSA-N
XLogP3.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-(2,2-dimethylcyclopropyl)-1,3-thiazole-5-carboxylic acid
CID 107925329
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
4-tert-butyl-2-cyclopropyl-1,3-thiazole-5-carbothioamide
CID 82438944
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
4-tert-butyl-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114359349
4-tert-butyl-2-[cycloheptyl(methyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63514616
N-[(4-tert-butyl-2-cyclooctyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114362515
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
4-tert-butyl-2-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114359333
4-tert-butyl-2-[cyclopropyl(ethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765619
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
4-tert-butyl-2-[2-[cyclohexyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 82227575

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid (CID 114359413) is 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(C2CCCC2)sc1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QAPQHJGEOKSSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-13(2,3)10-9(12(15)16)17-11(14-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).