3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline

C10H10FN3OS — CID 171813612

IUPAC3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline
SMILESCOc1c(N)cc(-c2nc(C)ns2)cc1F
InChIInChI=1S/C10H10FN3OS/c1-5-13-10(16-14-5)6-3-7(11)9(15-2)8(12)4-6/h3-4H,12H2,1-2H3
InChIKeyPKYQNXJMFCSDQO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.24
Rot. Bonds2

About 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline

3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline (PubChem CID 171813612) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline
PubChem CID171813612
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline
SMILESCOc1c(N)cc(-c2nc(C)ns2)cc1F
InChIInChI=1S/C10H10FN3OS/c1-5-13-10(16-14-5)6-3-7(11)9(15-2)8(12)4-6/h3-4H,12H2,1-2H3
InChIKeyPKYQNXJMFCSDQO-UHFFFAOYSA-N
XLogP2.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.24
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 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline?
The IUPAC name of 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline (CID 171813612) is 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline.
What is the SMILES notation for 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline?
The canonical SMILES for 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline is COc1c(N)cc(-c2nc(C)ns2)cc1F.
What is the InChIKey of 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline?
The InChIKey is PKYQNXJMFCSDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-5-13-10(16-14-5)6-3-7(11)9(15-2)8(12)4-6/h3-4H,12H2,1-2H3.
What are the key properties of 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline?
3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline has a molecular weight of 239.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-(3-methyl-1,2,4-thiadiazol-5-yl)aniline is sourced from PubChem (CID 171813612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).