ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate

C11H17N3O5S2 — CID 106341808

IUPACethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCNS(=O)(=O)CCNC(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C11H17N3O5S2/c1-3-13-21(17,18)6-5-12-9(15)8-7-20-10(14-8)11(16)19-4-2/h7,13H,3-6H2,1-2H3,(H,12,15)
InChIKeyXNJZBVNGZVHCFD-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.01
Rot. Bonds8

About ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 106341808) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID106341808
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Nameethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCNS(=O)(=O)CCNC(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C11H17N3O5S2/c1-3-13-21(17,18)6-5-12-9(15)8-7-20-10(14-8)11(16)19-4-2/h7,13H,3-6H2,1-2H3,(H,12,15)
InChIKeyXNJZBVNGZVHCFD-UHFFFAOYSA-N
XLogP-0.01
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
ethyl 4-[3-(diethylamino)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697639
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697982
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397
ethyl 4-[(5-methylthiophen-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697952
ethyl 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697992
ethyl 4-(2-piperazin-1-ylethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697783
ethyl 4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106106171
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257
ethyl 4-[(5-methylfuran-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697972
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
ethyl 4-[(4-methyl-1,3-oxazol-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698293

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate (CID 106341808) is ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate is CCNS(=O)(=O)CCNC(=O)c1csc(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is XNJZBVNGZVHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c1-3-13-21(17,18)6-5-12-9(15)8-7-20-10(14-8)11(16)19-4-2/h7,13H,3-6H2,1-2H3,(H,12,15).
What are the key properties of ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 335.41 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 106341808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).