2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline

C9H9N3OS — CID 166843941

IUPAC2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline
SMILESCOc1c(N)cccc1-c1nncs1
InChIInChI=1S/C9H9N3OS/c1-13-8-6(3-2-4-7(8)10)9-12-11-5-14-9/h2-5H,10H2,1H3
InChIKeyRMYGIEMTBZSKTK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.80
Rot. Bonds2

About 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline

2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline (PubChem CID 166843941) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline
PubChem CID166843941
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline
SMILESCOc1c(N)cccc1-c1nncs1
InChIInChI=1S/C9H9N3OS/c1-13-8-6(3-2-4-7(8)10)9-12-11-5-14-9/h2-5H,10H2,1H3
InChIKeyRMYGIEMTBZSKTK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline?
The IUPAC name of 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline (CID 166843941) is 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline.
What is the SMILES notation for 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline?
The canonical SMILES for 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline is COc1c(N)cccc1-c1nncs1.
What is the InChIKey of 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline?
The InChIKey is RMYGIEMTBZSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-13-8-6(3-2-4-7(8)10)9-12-11-5-14-9/h2-5H,10H2,1H3.
What are the key properties of 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline?
2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline 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 2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline is sourced from PubChem (CID 166843941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).