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

C13H11N3OS — CID 2744328

IUPAC2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3csc(C)n3)o2)cc1
InChIInChI=1S/C13H11N3OS/c1-8-3-5-10(6-4-8)12-15-16-13(17-12)11-7-18-9(2)14-11/h3-7H,1-2H3
InChIKeyRUUDUXSSWMTYRV-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.48
Rot. Bonds2

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

2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole (PubChem CID 2744328) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
PubChem CID2744328
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3csc(C)n3)o2)cc1
InChIInChI=1S/C13H11N3OS/c1-8-3-5-10(6-4-8)12-15-16-13(17-12)11-7-18-9(2)14-11/h3-7H,1-2H3
InChIKeyRUUDUXSSWMTYRV-UHFFFAOYSA-N
XLogP3.48
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
CID 2504736
2-(2-Bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2532750
2-(2,4-Dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744495
2-(2-Methyl-1,3-thiazol-4-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 2744118
2-(2-Methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744327
2-(4-Isopropylthiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 46202517
2-(4-Chlorophenyl)-5-(4-isopropylthiazol-2-yl)-1,3,4-oxadiazole
CID 46202518
2-(4-Isopropylthiazol-2-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 46202519
2-(4-Isopropylthiazol-2-yl)-5-p-tolyl-1,3,4-oxadiazole
CID 46202520
2-(4-Isopropylthiazol-2-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46202522
4-[5-(4-Isopropylthiazol-2-yl)-1,3,4-oxadiazol-2-yl]phenol
CID 135923288
2-Phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 53495044

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole (CID 2744328) is 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3csc(C)n3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is RUUDUXSSWMTYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-3-5-10(6-4-8)12-15-16-13(17-12)11-7-18-9(2)14-11/h3-7H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 257.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 2744328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).