(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

C23H20N2S — CID 56969023

IUPAC(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESC1=CN2C(=NC3=C(CCC/C3=C\c3ccccc3)C2c2ccccc2)S1
InChIInChI=1S/C23H20N2S/c1-3-8-17(9-4-1)16-19-12-7-13-20-21(19)24-23-25(14-15-26-23)22(20)18-10-5-2-6-11-18/h1-6,8-11,14-16,22H,7,12-13H2/b19-16+
InChIKeyROLNZFSJFPBXCB-KNTRCKAVSA-N
MW356.49 g/mol
LogP6.14
Rot. Bonds2

About (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline

(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (PubChem CID 56969023) has the molecular formula C23H20N2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.

Molecular Properties

Compound Name(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
PubChem CID56969023
Molecular FormulaC23H20N2S
Molecular Weight356.49 g/mol
Exact Mass356.13
IUPAC Name(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
SMILESC1=CN2C(=NC3=C(CCC/C3=C\c3ccccc3)C2c2ccccc2)S1
InChIInChI=1S/C23H20N2S/c1-3-8-17(9-4-1)16-19-12-7-13-20-21(19)24-23-25(14-15-26-23)22(20)18-10-5-2-6-11-18/h1-6,8-11,14-16,22H,7,12-13H2/b19-16+
InChIKeyROLNZFSJFPBXCB-KNTRCKAVSA-N
XLogP6.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The IUPAC name of (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline (CID 56969023) is (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline.
What is the SMILES notation for (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The canonical SMILES for (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is C1=CN2C(=NC3=C(CCC/C3=C\c3ccccc3)C2c2ccccc2)S1.
What is the InChIKey of (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
The InChIKey is ROLNZFSJFPBXCB-KNTRCKAVSA-N. The full InChI is InChI=1S/C23H20N2S/c1-3-8-17(9-4-1)16-19-12-7-13-20-21(19)24-23-25(14-15-26-23)22(20)18-10-5-2-6-11-18/h1-6,8-11,14-16,22H,7,12-13H2/b19-16+.
What are the key properties of (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline?
(9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline has a molecular weight of 356.49 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-benzylidene-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is sourced from PubChem (CID 56969023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).