N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide

C8H11N3O4S2 — CID 90085556

IUPACN-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)CCNC(=O)c1cncs1
InChIInChI=1S/C8H11N3O4S2/c1-6(12)11-17(14,15)3-2-10-8(13)7-4-9-5-16-7/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyHMINQHQSYNCLLM-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.66
Rot. Bonds5

About N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide

N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 90085556) has the molecular formula C8H11N3O4S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID90085556
Molecular FormulaC8H11N3O4S2
Molecular Weight277.33 g/mol
Exact Mass277.02
IUPAC NameN-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)NS(=O)(=O)CCNC(=O)c1cncs1
InChIInChI=1S/C8H11N3O4S2/c1-6(12)11-17(14,15)3-2-10-8(13)7-4-9-5-16-7/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyHMINQHQSYNCLLM-UHFFFAOYSA-N
XLogP-0.66
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide (CID 90085556) is N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide is CC(=O)NS(=O)(=O)CCNC(=O)c1cncs1.
What is the InChIKey of N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HMINQHQSYNCLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S2/c1-6(12)11-17(14,15)3-2-10-8(13)7-4-9-5-16-7/h4-5H,2-3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 277.33 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90085556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).