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

C14H13N3OS — CID 46202517

IUPAC2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1csc(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C14H13N3OS/c1-9(2)11-8-19-14(15-11)13-17-16-12(18-13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyYDLGWOWSBLUMHX-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.98
Rot. Bonds3

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

2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 46202517) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
PubChem CID46202517
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1csc(-c2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C14H13N3OS/c1-9(2)11-8-19-14(15-11)13-17-16-12(18-13)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyYDLGWOWSBLUMHX-UHFFFAOYSA-N
XLogP3.98
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (CID 46202517) is 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is CC(C)c1csc(-c2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is YDLGWOWSBLUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9(2)11-8-19-14(15-11)13-17-16-12(18-13)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 271.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 46202517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).