2-methyl-5-phenoxy-1,3,4-thiadiazole

C9H8N2OS — CID 58752966

IUPAC2-methyl-5-phenoxy-1,3,4-thiadiazole
SMILESCc1nnc(Oc2ccccc2)s1
InChIInChI=1S/C9H8N2OS/c1-7-10-11-9(13-7)12-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyVGUNJAYZQIVNET-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-5-phenoxy-1,3,4-thiadiazole

2-methyl-5-phenoxy-1,3,4-thiadiazole (PubChem CID 58752966) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-methyl-5-phenoxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-phenoxy-1,3,4-thiadiazole
PubChem CID58752966
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-methyl-5-phenoxy-1,3,4-thiadiazole
SMILESCc1nnc(Oc2ccccc2)s1
InChIInChI=1S/C9H8N2OS/c1-7-10-11-9(13-7)12-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyVGUNJAYZQIVNET-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenoxy-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-phenoxy-1,3,4-thiadiazole (CID 58752966) is 2-methyl-5-phenoxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-phenoxy-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-phenoxy-1,3,4-thiadiazole is Cc1nnc(Oc2ccccc2)s1.
What is the InChIKey of 2-methyl-5-phenoxy-1,3,4-thiadiazole?
The InChIKey is VGUNJAYZQIVNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-7-10-11-9(13-7)12-8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2-methyl-5-phenoxy-1,3,4-thiadiazole?
2-methyl-5-phenoxy-1,3,4-thiadiazole has a molecular weight of 192.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenoxy-1,3,4-thiadiazole is sourced from PubChem (CID 58752966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).