N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide

C15H17N3O3S2 — CID 108781169

IUPACN-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(-c3csc(NS(C)(=O)=O)n3)ccc21
InChIInChI=1S/C15H17N3O3S2/c1-15(2)10-7-9(5-6-12(10)18(3)13(15)19)11-8-22-14(16-11)17-23(4,20)21/h5-8H,1-4H3,(H,16,17)
InChIKeyPJQIVUYMZUVAMA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.44
Rot. Bonds3

About N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide

N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 108781169) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID108781169
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(-c3csc(NS(C)(=O)=O)n3)ccc21
InChIInChI=1S/C15H17N3O3S2/c1-15(2)10-7-9(5-6-12(10)18(3)13(15)19)11-8-22-14(16-11)17-23(4,20)21/h5-8H,1-4H3,(H,16,17)
InChIKeyPJQIVUYMZUVAMA-UHFFFAOYSA-N
XLogP2.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide (CID 108781169) is N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide is CN1C(=O)C(C)(C)c2cc(-c3csc(NS(C)(=O)=O)n3)ccc21.
What is the InChIKey of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is PJQIVUYMZUVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-15(2)10-7-9(5-6-12(10)18(3)13(15)19)11-8-22-14(16-11)17-23(4,20)21/h5-8H,1-4H3,(H,16,17).
What are the key properties of N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 351.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 108781169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).