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

C10H14N2O5S2 — CID 113451667

IUPACmethyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CC(OC)C1
InChIInChI=1S/C10H14N2O5S2/c1-16-7-3-6(4-7)12-19(14,15)10-8(9(13)17-2)11-5-18-10/h5-7,12H,3-4H2,1-2H3
InChIKeyZJSTYRSNUWXWLX-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.39
Rot. Bonds5

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

methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 113451667) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID113451667
Molecular FormulaC10H14N2O5S2
Molecular Weight306.37 g/mol
Exact Mass306.03
IUPAC Namemethyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC1CC(OC)C1
InChIInChI=1S/C10H14N2O5S2/c1-16-7-3-6(4-7)12-19(14,15)10-8(9(13)17-2)11-5-18-10/h5-7,12H,3-4H2,1-2H3
InChIKeyZJSTYRSNUWXWLX-UHFFFAOYSA-N
XLogP0.39
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate with MolForge

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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-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104178354
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate (CID 113451667) is methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NC1CC(OC)C1.
What is the InChIKey of methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is ZJSTYRSNUWXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c1-16-7-3-6(4-7)12-19(14,15)10-8(9(13)17-2)11-5-18-10/h5-7,12H,3-4H2,1-2H3.
What are the key properties of methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113451667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).