5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid

C16H25NO2S — CID 106510773

IUPAC5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(C2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C16H25NO2S/c1-5-12-17-13(15(18)19)14(20-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKeyJNRAAXNQQVKZIJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP4.72
Rot. Bonds3

About 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid

5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510773) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID106510773
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1nc(C(=O)O)c(C2CCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C16H25NO2S/c1-5-12-17-13(15(18)19)14(20-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19)
InChIKeyJNRAAXNQQVKZIJ-UHFFFAOYSA-N
XLogP4.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylcyclohexyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 106510848
methyl 2-bromo-5-(4-tert-butylcyclohexyl)-1,3-thiazole-4-carboxylate
CID 106510347
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-(4-tert-butylcyclohexyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842337
4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
5-[(1R,2R)-2-fluorocyclopropyl]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 154975821
2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422719
ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
CID 80573665
[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 65415819
5-[[bis(prop-2-enyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069098
5-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62053900
5-(4-bromo-5-methylthiophen-2-yl)-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 106510698

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid (CID 106510773) is 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid is CCc1nc(C(=O)O)c(C2CCC(C(C)(C)C)CC2)s1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is JNRAAXNQQVKZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-5-12-17-13(15(18)19)14(20-12)10-6-8-11(9-7-10)16(2,3)4/h10-11H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid?
5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 295.45 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-2-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).