3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one

C20H16N6O2S — CID 146408048

IUPAC3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5COC5)n4)nc4sccn34)cc2c1=O
InChIInChI=1S/C20H16N6O2S/c1-24-11-21-15-3-2-12(8-14(15)19(24)27)18-17(22-20-25(18)6-7-29-20)16-4-5-26(23-16)13-9-28-10-13/h2-8,11,13H,9-10H2,1H3
InChIKeyWPADJYFPTUQMKX-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.74
Rot. Bonds3

About 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one

3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one (PubChem CID 146408048) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
PubChem CID146408048
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC Name3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
SMILESCn1cnc2ccc(-c3c(-c4ccn(C5COC5)n4)nc4sccn34)cc2c1=O
InChIInChI=1S/C20H16N6O2S/c1-24-11-21-15-3-2-12(8-14(15)19(24)27)18-17(22-20-25(18)6-7-29-20)16-4-5-26(23-16)13-9-28-10-13/h2-8,11,13H,9-10H2,1H3
InChIKeyWPADJYFPTUQMKX-UHFFFAOYSA-N
XLogP2.74
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one (CID 146408048) is 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one is Cn1cnc2ccc(-c3c(-c4ccn(C5COC5)n4)nc4sccn34)cc2c1=O.
What is the InChIKey of 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The InChIKey is WPADJYFPTUQMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c1-24-11-21-15-3-2-12(8-14(15)19(24)27)18-17(22-20-25(18)6-7-29-20)16-4-5-26(23-16)13-9-28-10-13/h2-8,11,13H,9-10H2,1H3.
What are the key properties of 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one has a molecular weight of 404.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[6-[1-(oxetan-3-yl)pyrazol-3-yl]imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 146408048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).