4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid

C13H19NO2S — CID 82226726

IUPAC4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C2CCCCC2)c(C(=O)O)s1
InChIInChI=1S/C13H19NO2S/c1-8(2)12-14-10(11(17-12)13(15)16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyOAORDCURZXDMHD-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.01
Rot. Bonds3

About 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid

4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226726) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226726
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C2CCCCC2)c(C(=O)O)s1
InChIInChI=1S/C13H19NO2S/c1-8(2)12-14-10(11(17-12)13(15)16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyOAORDCURZXDMHD-UHFFFAOYSA-N
XLogP4.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358418
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 114358774
2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 105471885
4-cyclobutyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226657
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
5-(oxan-3-yl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510949
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
4-cyclopropyl-2-(2-methyloxan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360216
4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63915648
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 82226726) is 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(C2CCCCC2)c(C(=O)O)s1.
What is the InChIKey of 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OAORDCURZXDMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-8(2)12-14-10(11(17-12)13(15)16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid?
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 253.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).