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

C18H14N4O2S — CID 127050740

IUPAC2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(-c2sc(-c3cccnc3)nc2C)o1
InChIInChI=1S/C18H14N4O2S/c1-11-15(25-18(20-11)12-6-5-9-19-10-12)17-22-21-16(24-17)13-7-3-4-8-14(13)23-2/h3-10H,1-2H3
InChIKeyDKHIXFMHRGJIQH-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.24
Rot. Bonds4

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

2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 127050740) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID127050740
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(-c2sc(-c3cccnc3)nc2C)o1
InChIInChI=1S/C18H14N4O2S/c1-11-15(25-18(20-11)12-6-5-9-19-10-12)17-22-21-16(24-17)13-7-3-4-8-14(13)23-2/h3-10H,1-2H3
InChIKeyDKHIXFMHRGJIQH-UHFFFAOYSA-N
XLogP4.24
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 127050740) is 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is COc1ccccc1-c1nnc(-c2sc(-c3cccnc3)nc2C)o1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is DKHIXFMHRGJIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11-15(25-18(20-11)12-6-5-9-19-10-12)17-22-21-16(24-17)13-7-3-4-8-14(13)23-2/h3-10H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 350.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127050740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).