2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole

C12H8ClN3O3S2 — CID 177372170

IUPAC2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1cscn1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H8ClN3O3S2/c13-9-3-1-8(2-4-9)11-15-16-12(19-11)21(17,18)6-10-5-20-7-14-10/h1-5,7H,6H2
InChIKeyZVYWVAOSAREIMN-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole (PubChem CID 177372170) has the molecular formula C12H8ClN3O3S2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole
PubChem CID177372170
Molecular FormulaC12H8ClN3O3S2
Molecular Weight341.80 g/mol
Exact Mass340.97
IUPAC Name2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1cscn1)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H8ClN3O3S2/c13-9-3-1-8(2-4-9)11-15-16-12(19-11)21(17,18)6-10-5-20-7-14-10/h1-5,7H,6H2
InChIKeyZVYWVAOSAREIMN-UHFFFAOYSA-N
XLogP2.82
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
CID 2504736
2-(4-Chlorophenyl)-5-(4-isopropylthiazol-2-yl)-1,3,4-oxadiazole
CID 46202518
2-Phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 53495044
2-(4-Chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfinyl)-1,3,4-oxadiazole
CID 177372181
2-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenyl-1,3,4-oxadiazole
CID 1503579
2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 139238038
2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 139238039
2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 139238040
2-(4-Chlorophenyl)-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 2744460
2-(4-Chlorophenyl)-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238025
2-(4-Chlorophenyl)-5-[[2-(3-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238031
2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 139238036

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole (CID 177372170) is 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole is O=S(=O)(Cc1cscn1)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole?
The InChIKey is ZVYWVAOSAREIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S2/c13-9-3-1-8(2-4-9)11-15-16-12(19-11)21(17,18)6-10-5-20-7-14-10/h1-5,7H,6H2.
What are the key properties of 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole has a molecular weight of 341.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole is sourced from PubChem (CID 177372170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).