N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide

C12H13N3O3S2 — CID 70688908

IUPACN-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H13N3O3S2/c1-7-11(19-12(14-7)15-8(2)16)9-3-5-10(6-4-9)20(13,17)18/h3-6H,1-2H3,(H2,13,17,18)(H,14,15,16)
InChIKeyZASMRPOKAYRYIC-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.72
Rot. Bonds3

About N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 70688908) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID70688908
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H13N3O3S2/c1-7-11(19-12(14-7)15-8(2)16)9-3-5-10(6-4-9)20(13,17)18/h3-6H,1-2H3,(H2,13,17,18)(H,14,15,16)
InChIKeyZASMRPOKAYRYIC-UHFFFAOYSA-N
XLogP1.72
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide (CID 70688908) is N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZASMRPOKAYRYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-7-11(19-12(14-7)15-8(2)16)9-3-5-10(6-4-9)20(13,17)18/h3-6H,1-2H3,(H2,13,17,18)(H,14,15,16).
What are the key properties of N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 70688908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).