4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid

C10H13NO3S — CID 67256146

IUPAC4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)C(c2nccs2)C1
InChIInChI=1S/C10H13NO3S/c12-8-2-1-6(10(13)14)5-7(8)9-11-3-4-15-9/h3-4,6-8,12H,1-2,5H2,(H,13,14)
InChIKeyIPLWRVWZQKZVBZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.47
Rot. Bonds2

About 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid

4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 67256146) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID67256146
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)C(c2nccs2)C1
InChIInChI=1S/C10H13NO3S/c12-8-2-1-6(10(13)14)5-7(8)9-11-3-4-15-9/h3-4,6-8,12H,1-2,5H2,(H,13,14)
InChIKeyIPLWRVWZQKZVBZ-UHFFFAOYSA-N
XLogP1.47
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazole-2-carbonyl)cyclopentane-1-carboxylic acid
CID 70983767
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
3-(1,3-thiazol-2-yl)oxan-4-ol
CID 67258700
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(2S,4S)-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 170164499
1-benzyl-4-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 165457313
ethyl 2-methyl-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 123485807
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
3-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55147887
3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
CID 66031975
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
2-methyl-1-(1,3-thiazol-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106743843

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (CID 67256146) is 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)C(c2nccs2)C1.
What is the InChIKey of 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is IPLWRVWZQKZVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-8-2-1-6(10(13)14)5-7(8)9-11-3-4-15-9/h3-4,6-8,12H,1-2,5H2,(H,13,14).
What are the key properties of 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67256146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).