6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one

C19H16N6OS — CID 146408004

IUPAC6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3nc[nH]c(=O)c3c2)n1
InChIInChI=1S/C19H16N6OS/c1-11(2)25-6-5-15(23-25)16-17(24-7-8-27-19(24)22-16)12-3-4-14-13(9-12)18(26)21-10-20-14/h3-11H,1-2H3,(H,20,21,26)
InChIKeyXUTBBQIOPQDYAO-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.74
Rot. Bonds3

About 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one

6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one (PubChem CID 146408004) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one
PubChem CID146408004
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3nc[nH]c(=O)c3c2)n1
InChIInChI=1S/C19H16N6OS/c1-11(2)25-6-5-15(23-25)16-17(24-7-8-27-19(24)22-16)12-3-4-14-13(9-12)18(26)21-10-20-14/h3-11H,1-2H3,(H,20,21,26)
InChIKeyXUTBBQIOPQDYAO-UHFFFAOYSA-N
XLogP3.74
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one (CID 146408004) is 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one is CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3nc[nH]c(=O)c3c2)n1.
What is the InChIKey of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
The InChIKey is XUTBBQIOPQDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-11(2)25-6-5-15(23-25)16-17(24-7-8-27-19(24)22-16)12-3-4-14-13(9-12)18(26)21-10-20-14/h3-11H,1-2H3,(H,20,21,26).
What are the key properties of 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one?
6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one has a molecular weight of 376.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 146408004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).