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

C17H12N4OS — CID 127049247

IUPAC2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H12N4OS/c1-11-14(23-17(19-11)13-8-5-9-18-10-13)16-21-20-15(22-16)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeySNMIPTSTWMDUOA-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.23
Rot. Bonds3

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

2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 127049247) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID127049247
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole
SMILESCc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H12N4OS/c1-11-14(23-17(19-11)13-8-5-9-18-10-13)16-21-20-15(22-16)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeySNMIPTSTWMDUOA-UHFFFAOYSA-N
XLogP4.23
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzylsulfanyl)-5-[3-(1H-pyrrol-1-yl)-2-thienyl]-1,3,4-oxadiazole
CID 1484951
2-(4-Phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 90643530
Ethyl 4-phenyl-2-(pyridin-4-yl)thiazole-5-carboxylate
CID 44384908
2-(4-Methylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 24322464
2-Phenyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 60182284
2-Cyclopropyl-5-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]-1,3,4-oxadiazole
CID 2809902
2-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814977
4-[[5-(6-Chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-2-[(2-chloro-1,3-thiazol-5-yl)methyl]phthalazin-1-one
CID 49845684
(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)methanone
CID 56766040
2-(1-Benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598897
2-(4-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049555
2-(3-Methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049918

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole (CID 127049247) is 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole is Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SNMIPTSTWMDUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-11-14(23-17(19-11)13-8-5-9-18-10-13)16-21-20-15(22-16)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 320.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 127049247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).