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

C22H17FN4O2S — CID 71795857

IUPAC2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
SMILESCc1c(CNC(=O)Cc2noc3ccccc23)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C22H17FN4O2S/c1-13-20(11-24-21(28)10-17-16-4-2-3-5-19(16)29-26-17)30-22-25-18(12-27(13)22)14-6-8-15(23)9-7-14/h2-9,12H,10-11H2,1H3,(H,24,28)
InChIKeyNDHYXPJHPMMBQS-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.51
Rot. Bonds5

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

2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide (PubChem CID 71795857) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
PubChem CID71795857
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
SMILESCc1c(CNC(=O)Cc2noc3ccccc23)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C22H17FN4O2S/c1-13-20(11-24-21(28)10-17-16-4-2-3-5-19(16)29-26-17)30-22-25-18(12-27(13)22)14-6-8-15(23)9-7-14/h2-9,12H,10-11H2,1H3,(H,24,28)
InChIKeyNDHYXPJHPMMBQS-UHFFFAOYSA-N
XLogP4.51
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,2-benzoxazol-3-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-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide (CID 71795857) is 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide is Cc1c(CNC(=O)Cc2noc3ccccc23)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
The InChIKey is NDHYXPJHPMMBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-13-20(11-24-21(28)10-17-16-4-2-3-5-19(16)29-26-17)30-22-25-18(12-27(13)22)14-6-8-15(23)9-7-14/h2-9,12H,10-11H2,1H3,(H,24,28).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 71795857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).