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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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).