2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide

C13H13ClFN3OS — CID 71874584

IUPAC2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C)C(C(=O)Nc1nccs1)c1c(F)cccc1Cl
InChIInChI=1S/C13H13ClFN3OS/c1-18(2)11(10-8(14)4-3-5-9(10)15)12(19)17-13-16-6-7-20-13/h3-7,11H,1-2H3,(H,16,17,19)
InChIKeyBTFWECTZOVDGAL-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71874584) has the molecular formula C13H13ClFN3OS and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71874584
Molecular FormulaC13H13ClFN3OS
Molecular Weight313.79 g/mol
Exact Mass313.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C)C(C(=O)Nc1nccs1)c1c(F)cccc1Cl
InChIInChI=1S/C13H13ClFN3OS/c1-18(2)11(10-8(14)4-3-5-9(10)15)12(19)17-13-16-6-7-20-13/h3-7,11H,1-2H3,(H,16,17,19)
InChIKeyBTFWECTZOVDGAL-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide 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-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide (CID 71874584) is 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide is CN(C)C(C(=O)Nc1nccs1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BTFWECTZOVDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3OS/c1-18(2)11(10-8(14)4-3-5-9(10)15)12(19)17-13-16-6-7-20-13/h3-7,11H,1-2H3,(H,16,17,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 313.79 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71874584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).