methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate

C11H16N2O4S3 — CID 104773053

IUPACmethyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C11H16N2O4S3/c1-17-10(14)9-11(19-6-12-9)20(15,16)13-7-4-3-5-8(7)18-2/h6-8,13H,3-5H2,1-2H3
InChIKeyIHPXHMZQBWQIRB-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.49
Rot. Bonds5

About methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate

methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 104773053) has the molecular formula C11H16N2O4S3 and a molecular weight of 336.46 g/mol. Its IUPAC name is methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID104773053
Molecular FormulaC11H16N2O4S3
Molecular Weight336.46 g/mol
Exact Mass336.03
IUPAC Namemethyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CCCC1SC
InChIInChI=1S/C11H16N2O4S3/c1-17-10(14)9-11(19-6-12-9)20(15,16)13-7-4-3-5-8(7)18-2/h6-8,13H,3-5H2,1-2H3
InChIKeyIHPXHMZQBWQIRB-UHFFFAOYSA-N
XLogP1.49
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate
CID 15077126
Methyl 5-[2-(2,2-difluoroethoxy)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 103081935
Methyl 5-(2,2,3,3-tetrafluoropropylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 103577897
Methyl 5-(2,2,2-trifluoroethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104254470
Methyl 5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104254892
Methyl 5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104254988
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate (CID 104773053) is methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NC1CCCC1SC.
What is the InChIKey of methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is IHPXHMZQBWQIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S3/c1-17-10(14)9-11(19-6-12-9)20(15,16)13-7-4-3-5-8(7)18-2/h6-8,13H,3-5H2,1-2H3.
What are the key properties of methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 336.46 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methylsulfanylcyclopentyl)sulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 104773053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).