2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide

C20H19FN4O2S — CID 71795871

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H19FN4O2S/c1-11-16(13(3)27-24-11)8-19(26)22-9-18-12(2)25-10-17(23-20(25)28-18)14-4-6-15(21)7-5-14/h4-7,10H,8-9H2,1-3H3,(H,22,26)
InChIKeyMDJWJCHEEBRBSR-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.97
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide (PubChem CID 71795871) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
PubChem CID71795871
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C20H19FN4O2S/c1-11-16(13(3)27-24-11)8-19(26)22-9-18-12(2)25-10-17(23-20(25)28-18)14-4-6-15(21)7-5-14/h4-7,10H,8-9H2,1-3H3,(H,22,26)
InChIKeyMDJWJCHEEBRBSR-UHFFFAOYSA-N
XLogP3.97
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide (CID 71795871) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
The InChIKey is MDJWJCHEEBRBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-11-16(13(3)27-24-11)8-19(26)22-9-18-12(2)25-10-17(23-20(25)28-18)14-4-6-15(21)7-5-14/h4-7,10H,8-9H2,1-3H3,(H,22,26).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 71795871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).