2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one

C21H19N3OS2 — CID 2339607

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O
InChIInChI=1S/C21H19N3OS2/c1-2-12-24-20(25)17-10-6-7-11-18(17)23-21(24)27-14-16-13-26-19(22-16)15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3
InChIKeyNTSRSWBDWVNGNJ-UHFFFAOYSA-N
MW393.54 g/mol
LogP5.22
Rot. Bonds6

About 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one (PubChem CID 2339607) has the molecular formula C21H19N3OS2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
PubChem CID2339607
Molecular FormulaC21H19N3OS2
Molecular Weight393.54 g/mol
Exact Mass393.10
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O
InChIInChI=1S/C21H19N3OS2/c1-2-12-24-20(25)17-10-6-7-11-18(17)23-21(24)27-14-16-13-26-19(22-16)15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3
InChIKeyNTSRSWBDWVNGNJ-UHFFFAOYSA-N
XLogP5.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-ethyl-N-[4-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31205969
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18081752
3-[(2S)-1-methoxypropan-2-yl]-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 2110657
4-[4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60563932
3-(3-phenylpropyl)-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 24618720
3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33337407
1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 35358841
2-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2102879
3-[(4-methylphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 2609185

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one (CID 2339607) is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one is CCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one?
The InChIKey is NTSRSWBDWVNGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS2/c1-2-12-24-20(25)17-10-6-7-11-18(17)23-21(24)27-14-16-13-26-19(22-16)15-8-4-3-5-9-15/h3-11,13H,2,12,14H2,1H3.
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one?
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one has a molecular weight of 393.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 2339607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).