5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine

C9H9N3OS — CID 748318

IUPAC5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1-c1nnc(N)s1
InChIInChI=1S/C9H9N3OS/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKeyFIAPYAFRFHBTLA-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.80
Rot. Bonds2

About 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 748318) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID748318
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1-c1nnc(N)s1
InChIInChI=1S/C9H9N3OS/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKeyFIAPYAFRFHBTLA-UHFFFAOYSA-N
XLogP1.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 748318) is 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1ccccc1-c1nnc(N)s1.
What is the InChIKey of 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FIAPYAFRFHBTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 748318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).