methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate

C11H18N2O5S2 — CID 104773163

IUPACmethyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C11H18N2O5S2/c1-18-10(15)9-11(19-8-12-9)20(16,17)13-6-4-2-3-5-7-14/h8,13-14H,2-7H2,1H3
InChIKeyHVCUXHVNZUUPRW-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.76
Rot. Bonds9

About methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate

methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate (PubChem CID 104773163) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
PubChem CID104773163
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Namemethyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NCCCCCCO
InChIInChI=1S/C11H18N2O5S2/c1-18-10(15)9-11(19-8-12-9)20(16,17)13-6-4-2-3-5-7-14/h8,13-14H,2-7H2,1H3
InChIKeyHVCUXHVNZUUPRW-UHFFFAOYSA-N
XLogP0.76
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 103081935
Methyl 5-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104178354
Methyl 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104255059
Methyl 5-(3,3,3-trifluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104255494
Methyl 5-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 104255568
Methyl 5-(2,2-difluoroethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104255994
Methyl 5-(4,4,4-trifluorobutylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104255998
Methyl 5-(5,5,5-trifluoropentylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104255999
Methyl 5-[2-(trifluoromethylsulfanyl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 104772953
Methyl 5-(4,4,4-trifluorobutan-2-ylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104854773
Methyl 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104858746
Methyl 5-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 107479027

Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate (CID 104773163) is methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NCCCCCCO.
What is the InChIKey of methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate?
The InChIKey is HVCUXHVNZUUPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-18-10(15)9-11(19-8-12-9)20(16,17)13-6-4-2-3-5-7-14/h8,13-14H,2-7H2,1H3.
What are the key properties of methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate?
methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 104773163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).