2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C18H14N4OS — CID 127051017

IUPAC2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H14N4OS/c1-12-16(24-18(20-12)14-8-5-9-19-11-14)17-22-21-15(23-17)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3
InChIKeyZUWCNLFCSQFFSC-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.15
Rot. Bonds4

About 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 127051017) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID127051017
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C18H14N4OS/c1-12-16(24-18(20-12)14-8-5-9-19-11-14)17-22-21-15(23-17)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3
InChIKeyZUWCNLFCSQFFSC-UHFFFAOYSA-N
XLogP4.15
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 127051017) is 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1nc(-c2cccnc2)sc1-c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is ZUWCNLFCSQFFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-16(24-18(20-12)14-8-5-9-19-11-14)17-22-21-15(23-17)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3.
What are the key properties of 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 334.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127051017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).