2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one

C20H14N4OS2 — CID 2999699

IUPAC2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1
InChIInChI=1S/C20H14N4OS2/c25-18-16-8-4-5-9-17(16)22-20(24(18)15-6-2-1-3-7-15)27-13-14-12-23-10-11-26-19(23)21-14/h1-12H,13H2
InChIKeyFTDFADXWYPPYTB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.39
Rot. Bonds4

About 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one

2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one (PubChem CID 2999699) has the molecular formula C20H14N4OS2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one
PubChem CID2999699
Molecular FormulaC20H14N4OS2
Molecular Weight390.49 g/mol
Exact Mass390.06
IUPAC Name2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1
InChIInChI=1S/C20H14N4OS2/c25-18-16-8-4-5-9-17(16)22-20(24(18)15-6-2-1-3-7-15)27-13-14-12-23-10-11-26-19(23)21-14/h1-12H,13H2
InChIKeyFTDFADXWYPPYTB-UHFFFAOYSA-N
XLogP4.39
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one (CID 2999699) is 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1.
What is the InChIKey of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one?
The InChIKey is FTDFADXWYPPYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS2/c25-18-16-8-4-5-9-17(16)22-20(24(18)15-6-2-1-3-7-15)27-13-14-12-23-10-11-26-19(23)21-14/h1-12H,13H2.
What are the key properties of 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one?
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one has a molecular weight of 390.49 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 2999699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).