2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide

C8H12ClN3OS — CID 83152521

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)cs1
InChIInChI=1S/C8H12ClN3OS/c1-2-3-10-7(13)4-11-8-12-6(9)5-14-8/h5H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyIPYUFLUQACHTFL-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.73
Rot. Bonds5

About 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide

2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide (PubChem CID 83152521) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide
PubChem CID83152521
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(Cl)cs1
InChIInChI=1S/C8H12ClN3OS/c1-2-3-10-7(13)4-11-8-12-6(9)5-14-8/h5H,2-4H2,1H3,(H,10,13)(H,11,12)
InChIKeyIPYUFLUQACHTFL-UHFFFAOYSA-N
XLogP1.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide 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-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide (CID 83152521) is 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide?
The InChIKey is IPYUFLUQACHTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-2-3-10-7(13)4-11-8-12-6(9)5-14-8/h5H,2-4H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide?
2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide has a molecular weight of 233.72 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 83152521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).