5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid

C11H16N2O4S2 — CID 86566876

IUPAC5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H16N2O4S2/c14-11(15)9-10(18-7-12-9)13-19(16,17)6-8-4-2-1-3-5-8/h7-8,13H,1-6H2,(H,14,15)
InChIKeyACPATKLLHQYNPG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.16
Rot. Bonds5

About 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid

5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 86566876) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID86566876
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H16N2O4S2/c14-11(15)9-10(18-7-12-9)13-19(16,17)6-8-4-2-1-3-5-8/h7-8,13H,1-6H2,(H,14,15)
InChIKeyACPATKLLHQYNPG-UHFFFAOYSA-N
XLogP2.16
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629476
5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 158942457
3-(cyclohexylmethylsulfonylamino)-4-methylthiophene-2-carboxylic acid
CID 114915193
5-[cyclopentylmethyl(methyl)sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392037
5-(oxan-3-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631917
N-(cyclobutylmethylsulfonyl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 99783513
2-(cyclohexylmethylsulfonylamino)-3-fluorobenzoic acid
CID 81499032
2-(cyclohexylmethylsulfonylamino)-4-fluorobenzoic acid
CID 61453916
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613
5-(cyclohexylmethylsulfonylamino)-2-methylbenzoic acid
CID 63653860
N-(cyclobutylmethylsulfonyl)-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 84592421
5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567825

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid (CID 86566876) is 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ACPATKLLHQYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c14-11(15)9-10(18-7-12-9)13-19(16,17)6-8-4-2-1-3-5-8/h7-8,13H,1-6H2,(H,14,15).
What are the key properties of 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid?
5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86566876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).