3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole

C15H15N3O2S2 — CID 75384744

IUPAC3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1nc(C)c(CS(=O)Cc2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C15H15N3O2S2/c1-10-13(21-11(2)16-10)8-22(19)9-14-17-15(20-18-14)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyXGTGJJCDJVRENK-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.26
Rot. Bonds5

About 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole

3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 75384744) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID75384744
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole
SMILESCc1nc(C)c(CS(=O)Cc2noc(-c3ccccc3)n2)s1
InChIInChI=1S/C15H15N3O2S2/c1-10-13(21-11(2)16-10)8-22(19)9-14-17-15(20-18-14)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
InChIKeyXGTGJJCDJVRENK-UHFFFAOYSA-N
XLogP3.26
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole (CID 75384744) is 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole is Cc1nc(C)c(CS(=O)Cc2noc(-c3ccccc3)n2)s1.
What is the InChIKey of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is XGTGJJCDJVRENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-10-13(21-11(2)16-10)8-22(19)9-14-17-15(20-18-14)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole?
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 333.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfinylmethyl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 75384744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).