3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

C26H22N4OS2 — CID 24618720

IUPAC3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2csc(-c3ccccn3)n2)n1CCCc1ccccc1
InChIInChI=1S/C26H22N4OS2/c31-25-21-12-4-5-13-22(21)29-26(30(25)16-8-11-19-9-2-1-3-10-19)33-18-20-17-32-24(28-20)23-14-6-7-15-27-23/h1-7,9-10,12-15,17H,8,11,16,18H2
InChIKeyURJMBAJDXLJFKL-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.84
Rot. Bonds8

About 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 24618720) has the molecular formula C26H22N4OS2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
PubChem CID24618720
Molecular FormulaC26H22N4OS2
Molecular Weight470.62 g/mol
Exact Mass470.12
IUPAC Name3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2csc(-c3ccccn3)n2)n1CCCc1ccccc1
InChIInChI=1S/C26H22N4OS2/c31-25-21-12-4-5-13-22(21)29-26(30(25)16-8-11-19-9-2-1-3-10-19)33-18-20-17-32-24(28-20)23-14-6-7-15-27-23/h1-7,9-10,12-15,17H,8,11,16,18H2
InChIKeyURJMBAJDXLJFKL-UHFFFAOYSA-N
XLogP5.84
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
6-bromo-3-(2-methylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 24618729
2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 38868239
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 31097218
3-ethyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 7907166
3-[(4-chlorophenyl)methyl]-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 2092632
2-benzylsulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 4825111
3-(3-propan-2-yloxypropyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 55458941
3-(3-phenylpropyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 32974559
3-benzyl-2-(3-phenylpropylsulfanyl)quinazolin-4-one
CID 7855351
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 55475917
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18081752

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one (CID 24618720) is 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one is O=c1c2ccccc2nc(SCc2csc(-c3ccccn3)n2)n1CCCc1ccccc1.
What is the InChIKey of 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is URJMBAJDXLJFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4OS2/c31-25-21-12-4-5-13-22(21)29-26(30(25)16-8-11-19-9-2-1-3-10-19)33-18-20-17-32-24(28-20)23-14-6-7-15-27-23/h1-7,9-10,12-15,17H,8,11,16,18H2.
What are the key properties of 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one?
3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 470.62 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 24618720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).