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

C10H10FN3S — CID 115502955

IUPAC4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1cccc(F)c1C
InChIInChI=1S/C10H10FN3S/c1-6-7(4-3-5-8(6)11)9-10(12-2)14-15-13-9/h3-5H,1-2H3,(H,12,14)
InChIKeyRNNJEDPPDKYSNZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.69
Rot. Bonds2

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

4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 115502955) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID115502955
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCNc1nsnc1-c1cccc(F)c1C
InChIInChI=1S/C10H10FN3S/c1-6-7(4-3-5-8(6)11)9-10(12-2)14-15-13-9/h3-5H,1-2H3,(H,12,14)
InChIKeyRNNJEDPPDKYSNZ-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 115502955) is 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine is CNc1nsnc1-c1cccc(F)c1C.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is RNNJEDPPDKYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-6-7(4-3-5-8(6)11)9-10(12-2)14-15-13-9/h3-5H,1-2H3,(H,12,14).
What are the key properties of 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 223.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 115502955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).