2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

C19H16N4O3S2 — CID 31459882

IUPAC2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1OC
InChIInChI=1S/C19H16N4O3S2/c1-24-15-6-5-12(8-16(15)25-2)18-21-14(10-27-18)11-28-19-23-22-17(26-19)13-4-3-7-20-9-13/h3-10H,11H2,1-2H3
InChIKeyNNVGJIDSRHFDMU-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.56
Rot. Bonds7

About 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 31459882) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID31459882
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1OC
InChIInChI=1S/C19H16N4O3S2/c1-24-15-6-5-12(8-16(15)25-2)18-21-14(10-27-18)11-28-19-23-22-17(26-19)13-4-3-7-20-9-13/h3-10H,11H2,1-2H3
InChIKeyNNVGJIDSRHFDMU-UHFFFAOYSA-N
XLogP4.56
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 31459882) is 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is COc1ccc(-c2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is NNVGJIDSRHFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-24-15-6-5-12(8-16(15)25-2)18-21-14(10-27-18)11-28-19-23-22-17(26-19)13-4-3-7-20-9-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 412.50 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 31459882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).