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

C25H27N7O2S — CID 146407873

IUPAC3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCOCC4)c(=O)c3c2)n1
InChIInChI=1S/C25H27N7O2S/c1-17(2)32-6-5-21(28-32)22-23(31-11-14-35-25(31)27-22)18-3-4-20-19(15-18)24(33)30(16-26-20)8-7-29-9-12-34-13-10-29/h3-6,11,14-17H,7-10,12-13H2,1-2H3
InChIKeySGIKXBIGUPLMJE-UHFFFAOYSA-N
MW489.61 g/mol
LogP3.55
Rot. Bonds6

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

3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one (PubChem CID 146407873) has the molecular formula C25H27N7O2S and a molecular weight of 489.61 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
PubChem CID146407873
Molecular FormulaC25H27N7O2S
Molecular Weight489.61 g/mol
Exact Mass489.19
IUPAC Name3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one
SMILESCC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCOCC4)c(=O)c3c2)n1
InChIInChI=1S/C25H27N7O2S/c1-17(2)32-6-5-21(28-32)22-23(31-11-14-35-25(31)27-22)18-3-4-20-19(15-18)24(33)30(16-26-20)8-7-29-9-12-34-13-10-29/h3-6,11,14-17H,7-10,12-13H2,1-2H3
InChIKeySGIKXBIGUPLMJE-UHFFFAOYSA-N
XLogP3.55
TPSA82.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one (CID 146407873) is 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one is CC(C)n1ccc(-c2nc3sccn3c2-c2ccc3ncn(CCN4CCOCC4)c(=O)c3c2)n1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
The InChIKey is SGIKXBIGUPLMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S/c1-17(2)32-6-5-21(28-32)22-23(31-11-14-35-25(31)27-22)18-3-4-20-19(15-18)24(33)30(16-26-20)8-7-29-9-12-34-13-10-29/h3-6,11,14-17H,7-10,12-13H2,1-2H3.
What are the key properties of 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one?
3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one has a molecular weight of 489.61 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-6-[6-(1-propan-2-ylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]quinazolin-4-one is sourced from PubChem (CID 146407873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).