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

C10H15N3O4S2 — CID 118535443

IUPACN-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)C(=O)NS(=O)(=O)CCNC(=O)c1cncs1
InChIInChI=1S/C10H15N3O4S2/c1-7(2)9(14)13-19(16,17)4-3-12-10(15)8-5-11-6-18-8/h5-7H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWFZYTIDQASYQEJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.03
Rot. Bonds6

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

N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 118535443) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID118535443
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC NameN-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)C(=O)NS(=O)(=O)CCNC(=O)c1cncs1
InChIInChI=1S/C10H15N3O4S2/c1-7(2)9(14)13-19(16,17)4-3-12-10(15)8-5-11-6-18-8/h5-7H,3-4H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWFZYTIDQASYQEJ-UHFFFAOYSA-N
XLogP-0.03
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide (CID 118535443) is N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide is CC(C)C(=O)NS(=O)(=O)CCNC(=O)c1cncs1.
What is the InChIKey of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WFZYTIDQASYQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-7(2)9(14)13-19(16,17)4-3-12-10(15)8-5-11-6-18-8/h5-7H,3-4H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide?
N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylsulfamoyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118535443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).