2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide

C8H12ClN3O3S2 — CID 43429069

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClN3O3S2/c1-5(2)12-6(13)3-11-17(14,15)7-4-10-8(9)16-7/h4-5,11H,3H2,1-2H3,(H,12,13)
InChIKeyLOJSLDJZQCPVLG-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.60
Rot. Bonds5

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 43429069) has the molecular formula C8H12ClN3O3S2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
PubChem CID43429069
Molecular FormulaC8H12ClN3O3S2
Molecular Weight297.79 g/mol
Exact Mass297.00
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C8H12ClN3O3S2/c1-5(2)12-6(13)3-11-17(14,15)7-4-10-8(9)16-7/h4-5,11H,3H2,1-2H3,(H,12,13)
InChIKeyLOJSLDJZQCPVLG-UHFFFAOYSA-N
XLogP0.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide 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-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide (CID 43429069) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is LOJSLDJZQCPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S2/c1-5(2)12-6(13)3-11-17(14,15)7-4-10-8(9)16-7/h4-5,11H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 297.79 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43429069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).