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

C15H15N3OS — CID 46202520

IUPAC2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nc(C(C)C)cs3)o2)cc1
InChIInChI=1S/C15H15N3OS/c1-9(2)12-8-20-15(16-12)14-18-17-13(19-14)11-6-4-10(3)5-7-11/h4-9H,1-3H3
InChIKeyQAWUPNGTTCIBDC-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.29
Rot. Bonds3

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

2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 46202520) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
PubChem CID46202520
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nc(C(C)C)cs3)o2)cc1
InChIInChI=1S/C15H15N3OS/c1-9(2)12-8-20-15(16-12)14-18-17-13(19-14)11-6-4-10(3)5-7-11/h4-9H,1-3H3
InChIKeyQAWUPNGTTCIBDC-UHFFFAOYSA-N
XLogP4.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (CID 46202520) is 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3nc(C(C)C)cs3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is QAWUPNGTTCIBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(2)12-8-20-15(16-12)14-18-17-13(19-14)11-6-4-10(3)5-7-11/h4-9H,1-3H3.
What are the key properties of 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 285.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 46202520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).