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

C13H10ClN3OS2 — CID 24661609

IUPAC5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1csc(SCc2noc(-c3ccccc3Cl)n2)n1
InChIInChI=1S/C13H10ClN3OS2/c1-8-6-19-13(15-8)20-7-11-16-12(18-17-11)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3
InChIKeyIUMHRTRHYINTKE-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.45
Rot. Bonds4

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

5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 24661609) has the molecular formula C13H10ClN3OS2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID24661609
Molecular FormulaC13H10ClN3OS2
Molecular Weight323.83 g/mol
Exact Mass323.00
IUPAC Name5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1csc(SCc2noc(-c3ccccc3Cl)n2)n1
InChIInChI=1S/C13H10ClN3OS2/c1-8-6-19-13(15-8)20-7-11-16-12(18-17-11)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3
InChIKeyIUMHRTRHYINTKE-UHFFFAOYSA-N
XLogP4.45
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 24661609) is 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is Cc1csc(SCc2noc(-c3ccccc3Cl)n2)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is IUMHRTRHYINTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS2/c1-8-6-19-13(15-8)20-7-11-16-12(18-17-11)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 323.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24661609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).