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

C10H13NO2S — CID 67248052

IUPAC3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(c2nccs2)C1
InChIInChI=1S/C10H13NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h4-5,7-8H,1-3,6H2,(H,12,13)
InChIKeyBDSHTNZDZJPOIP-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.50
Rot. Bonds2

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

3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 67248052) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID67248052
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(c2nccs2)C1
InChIInChI=1S/C10H13NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h4-5,7-8H,1-3,6H2,(H,12,13)
InChIKeyBDSHTNZDZJPOIP-UHFFFAOYSA-N
XLogP2.50
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid (CID 67248052) is 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(c2nccs2)C1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is BDSHTNZDZJPOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h4-5,7-8H,1-3,6H2,(H,12,13).
What are the key properties of 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid?
3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 67248052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).