3-(3-methoxyphenyl)-1,2,4-thiadiazole

C9H8N2OS — CID 141407651

IUPAC3-(3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1cccc(-c2ncsn2)c1
InChIInChI=1S/C9H8N2OS/c1-12-8-4-2-3-7(5-8)9-10-6-13-11-9/h2-6H,1H3
InChIKeyWPFVOLVSZQMPKX-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.21
Rot. Bonds2

About 3-(3-methoxyphenyl)-1,2,4-thiadiazole

3-(3-methoxyphenyl)-1,2,4-thiadiazole (PubChem CID 141407651) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1,2,4-thiadiazole
PubChem CID141407651
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-(3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1cccc(-c2ncsn2)c1
InChIInChI=1S/C9H8N2OS/c1-12-8-4-2-3-7(5-8)9-10-6-13-11-9/h2-6H,1H3
InChIKeyWPFVOLVSZQMPKX-UHFFFAOYSA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-1,2,4-thiadiazole (CID 141407651) is 3-(3-methoxyphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-1,2,4-thiadiazole is COc1cccc(-c2ncsn2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1,2,4-thiadiazole?
The InChIKey is WPFVOLVSZQMPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-12-8-4-2-3-7(5-8)9-10-6-13-11-9/h2-6H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1,2,4-thiadiazole?
3-(3-methoxyphenyl)-1,2,4-thiadiazole has a molecular weight of 192.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 141407651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).