N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C22H16FN5O2S — CID 27897247

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cnc12
InChIInChI=1S/C22H16FN5O2S/c1-13-3-2-4-16-18(13)24-12-27(21(16)30)11-17(29)25-20-19(14-5-7-15(23)8-6-14)26-22-28(20)9-10-31-22/h2-10,12H,11H2,1H3,(H,25,29)
InChIKeyQZOJDEPLDLNYJI-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.86
Rot. Bonds4

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 27897247) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID27897247
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cnc12
InChIInChI=1S/C22H16FN5O2S/c1-13-3-2-4-16-18(13)24-12-27(21(16)30)11-17(29)25-20-19(14-5-7-15(23)8-6-14)26-22-28(20)9-10-31-22/h2-10,12H,11H2,1H3,(H,25,29)
InChIKeyQZOJDEPLDLNYJI-UHFFFAOYSA-N
XLogP3.86
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 27897247) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cnc12.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QZOJDEPLDLNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c1-13-3-2-4-16-18(13)24-12-27(21(16)30)11-17(29)25-20-19(14-5-7-15(23)8-6-14)26-22-28(20)9-10-31-22/h2-10,12H,11H2,1H3,(H,25,29).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 27897247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).