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

C18H14N4OS — CID 127049918

IUPAC2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(-c3sc(-c4cccnc4)nc3C)o2)c1
InChIInChI=1S/C18H14N4OS/c1-11-5-3-6-13(9-11)16-21-22-17(23-16)15-12(2)20-18(24-15)14-7-4-8-19-10-14/h3-10H,1-2H3
InChIKeyNNQFIZZMTXNZEY-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.54
Rot. Bonds3

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

2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 127049918) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID127049918
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(-c3sc(-c4cccnc4)nc3C)o2)c1
InChIInChI=1S/C18H14N4OS/c1-11-5-3-6-13(9-11)16-21-22-17(23-16)15-12(2)20-18(24-15)14-7-4-8-19-10-14/h3-10H,1-2H3
InChIKeyNNQFIZZMTXNZEY-UHFFFAOYSA-N
XLogP4.54
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-Phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 90643530
2-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814977
(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-[(3-Methylphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92560823
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 127049247
2-(4-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127049555
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
2-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 127050733
2-(4-Bromophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050734
2-(2-Chlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050735
2-(2,3-Dichlorophenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050736
2-(2-Methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050738

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 127049918) is 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(-c3sc(-c4cccnc4)nc3C)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is NNQFIZZMTXNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-5-3-6-13(9-11)16-21-22-17(23-16)15-12(2)20-18(24-15)14-7-4-8-19-10-14/h3-10H,1-2H3.
What are the key properties of 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-(3-methylphenyl)-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 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127049918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).