2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid

C11H15NO4S2 — CID 82191056

IUPAC2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CS(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C11H15NO4S2/c13-11(14)9-6-12-10(17-9)7-18(15,16)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,13,14)
InChIKeyCEZMKZIOVHBQNJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds4

About 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid

2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82191056) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82191056
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(CS(=O)(=O)C2CCCCC2)s1
InChIInChI=1S/C11H15NO4S2/c13-11(14)9-6-12-10(17-9)7-18(15,16)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,13,14)
InChIKeyCEZMKZIOVHBQNJ-UHFFFAOYSA-N
XLogP2.09
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid (CID 82191056) is 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(CS(=O)(=O)C2CCCCC2)s1.
What is the InChIKey of 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is CEZMKZIOVHBQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c13-11(14)9-6-12-10(17-9)7-18(15,16)8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,13,14).
What are the key properties of 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid?
2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82191056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).