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

C11H18N2O5S2 — CID 114940685

IUPACmethyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(C)(C)CNS(=O)(=O)c1scnc1C(=O)OC
InChIInChI=1S/C11H18N2O5S2/c1-5-18-11(2,3)6-13-20(15,16)10-8(9(14)17-4)12-7-19-10/h7,13H,5-6H2,1-4H3
InChIKeyLCHWUAWMQHWSIA-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.02
Rot. Bonds7

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

methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 114940685) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID114940685
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Namemethyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(C)(C)CNS(=O)(=O)c1scnc1C(=O)OC
InChIInChI=1S/C11H18N2O5S2/c1-5-18-11(2,3)6-13-20(15,16)10-8(9(14)17-4)12-7-19-10/h7,13H,5-6H2,1-4H3
InChIKeyLCHWUAWMQHWSIA-UHFFFAOYSA-N
XLogP1.02
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[(2-ethoxy-2-methylpropyl)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-[propyl(2,2,2-trifluoroethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104254973
Methyl 5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104254988
Methyl 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104255059
Methyl 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104255274
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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate (CID 114940685) is methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate is CCOC(C)(C)CNS(=O)(=O)c1scnc1C(=O)OC.
What is the InChIKey of methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is LCHWUAWMQHWSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-5-18-11(2,3)6-13-20(15,16)10-8(9(14)17-4)12-7-19-10/h7,13H,5-6H2,1-4H3.
What are the key properties of methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114940685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).