2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide

C9H14N2O3S2 — CID 137443476

IUPAC2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
SMILESCC(=O)c1ncc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H14N2O3S2/c1-6(12)8-10-5-7(15-8)16(13,14)11-9(2,3)4/h5,11H,1-4H3
InChIKeyDJJLGUAAVVRIBX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.42
Rot. Bonds3

About 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide

2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide (PubChem CID 137443476) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
PubChem CID137443476
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
SMILESCC(=O)c1ncc(S(=O)(=O)NC(C)(C)C)s1
InChIInChI=1S/C9H14N2O3S2/c1-6(12)8-10-5-7(15-8)16(13,14)11-9(2,3)4/h5,11H,1-4H3
InChIKeyDJJLGUAAVVRIBX-UHFFFAOYSA-N
XLogP1.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide 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 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide (CID 137443476) is 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide is CC(=O)c1ncc(S(=O)(=O)NC(C)(C)C)s1.
What is the InChIKey of 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DJJLGUAAVVRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c1-6(12)8-10-5-7(15-8)16(13,14)11-9(2,3)4/h5,11H,1-4H3.
What are the key properties of 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide?
2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 137443476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).