2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one

C20H17N3O2S2 — CID 18081752

IUPAC2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)cs2)cc1
InChIInChI=1S/C20H17N3O2S2/c1-23-19(24)16-5-3-4-6-17(16)22-20(23)27-12-14-11-26-18(21-14)13-7-9-15(25-2)10-8-13/h3-11H,12H2,1-2H3
InChIKeyBVRGNBYHYRACJJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.36
Rot. Bonds5

About 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one

2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one (PubChem CID 18081752) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
PubChem CID18081752
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)cs2)cc1
InChIInChI=1S/C20H17N3O2S2/c1-23-19(24)16-5-3-4-6-17(16)22-20(23)27-12-14-11-26-18(21-14)13-7-9-15(25-2)10-8-13/h3-11H,12H2,1-2H3
InChIKeyBVRGNBYHYRACJJ-UHFFFAOYSA-N
XLogP4.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 31097218
4-[4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60563932
2-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 29408926
1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24522023
3-[(2S)-1-methoxypropan-2-yl]-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 2110657
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
3-ethyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 7907166
3-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 33337407
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18192132
2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 7146150
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-methylquinazolin-4-one
CID 34436853
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 31279273

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one (CID 18081752) is 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one is COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C)cs2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one?
The InChIKey is BVRGNBYHYRACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-23-19(24)16-5-3-4-6-17(16)22-20(23)27-12-14-11-26-18(21-14)13-7-9-15(25-2)10-8-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one?
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one has a molecular weight of 395.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 18081752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).