2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

C16H10ClN3OS2 — CID 2744460

IUPAC2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cc3csc(-c4cccs4)n3)o2)cc1
InChIInChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)15-20-19-14(21-15)8-12-9-23-16(18-12)13-2-1-7-22-13/h1-7,9H,8H2
InChIKeyWIGCQFHAOFSDIA-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.17
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (PubChem CID 2744460) has the molecular formula C16H10ClN3OS2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
PubChem CID2744460
Molecular FormulaC16H10ClN3OS2
Molecular Weight359.86 g/mol
Exact Mass359.00
IUPAC Name2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Cc3csc(-c4cccs4)n3)o2)cc1
InChIInChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)15-20-19-14(21-15)8-12-9-23-16(18-12)13-2-1-7-22-13/h1-7,9H,8H2
InChIKeyWIGCQFHAOFSDIA-UHFFFAOYSA-N
XLogP5.17
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole (CID 2744460) is 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(Cc3csc(-c4cccs4)n3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is WIGCQFHAOFSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3OS2/c17-11-5-3-10(4-6-11)15-20-19-14(21-15)8-12-9-23-16(18-12)13-2-1-7-22-13/h1-7,9H,8H2.
What are the key properties of 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 359.86 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2744460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).