5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine

C9H8FN3S — CID 79691075

IUPAC5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(F)cc(-c2nnc(N)s2)c1
InChIInChI=1S/C9H8FN3S/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKeyKHXVCJMLDXEICK-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.23
Rot. Bonds1

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

5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 79691075) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID79691075
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cc(F)cc(-c2nnc(N)s2)c1
InChIInChI=1S/C9H8FN3S/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKeyKHXVCJMLDXEICK-UHFFFAOYSA-N
XLogP2.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 79691075) is 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1cc(F)cc(-c2nnc(N)s2)c1.
What is the InChIKey of 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KHXVCJMLDXEICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 209.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79691075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).