5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole

C15H15N3O2S2 — CID 99832911

IUPAC5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1csc([S@](=O)CCCc2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C15H15N3O2S2/c1-11-10-21-15(16-11)22(19)9-5-8-13-17-14(18-20-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3/t22-/m1/s1
InChIKeyHUBRWUKAVYQYNL-JOCHJYFZSA-N
MW333.44 g/mol
LogP3.24
Rot. Bonds6

About 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole

5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 99832911) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID99832911
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1csc([S@](=O)CCCc2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C15H15N3O2S2/c1-11-10-21-15(16-11)22(19)9-5-8-13-17-14(18-20-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3/t22-/m1/s1
InChIKeyHUBRWUKAVYQYNL-JOCHJYFZSA-N
XLogP3.24
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole (CID 99832911) is 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole is Cc1csc([S@](=O)CCCc2nc(-c3ccccc3)no2)n1.
What is the InChIKey of 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is HUBRWUKAVYQYNL-JOCHJYFZSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-11-10-21-15(16-11)22(19)9-5-8-13-17-14(18-20-13)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3/t22-/m1/s1.
What are the key properties of 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole?
5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 333.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 99832911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).