2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide

C10H17N3O3S2 — CID 47925770

IUPAC2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCS(N)(=O)=O)s1
InChIInChI=1S/C10H17N3O3S2/c1-10(2,3)9-13-6-7(17-9)8(14)12-4-5-18(11,15)16/h6H,4-5H2,1-3H3,(H,12,14)(H2,11,15,16)
InChIKeyOXSFLGGRIGYTIA-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.46
Rot. Bonds4

About 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 47925770) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
PubChem CID47925770
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCS(N)(=O)=O)s1
InChIInChI=1S/C10H17N3O3S2/c1-10(2,3)9-13-6-7(17-9)8(14)12-4-5-18(11,15)16/h6H,4-5H2,1-3H3,(H,12,14)(H2,11,15,16)
InChIKeyOXSFLGGRIGYTIA-UHFFFAOYSA-N
XLogP0.46
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide (CID 47925770) is 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCCS(N)(=O)=O)s1.
What is the InChIKey of 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OXSFLGGRIGYTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-10(2,3)9-13-6-7(17-9)8(14)12-4-5-18(11,15)16/h6H,4-5H2,1-3H3,(H,12,14)(H2,11,15,16).
What are the key properties of 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-sulfamoylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47925770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).