[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine

C10H10FN3S2 — CID 102818800

IUPAC[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine
SMILESCc1nsc(Sc2cc(F)cc(CN)c2)n1
InChIInChI=1S/C10H10FN3S2/c1-6-13-10(16-14-6)15-9-3-7(5-12)2-8(11)4-9/h2-4H,5,12H2,1H3
InChIKeyQRUKIUVIOGFIJJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.60
Rot. Bonds3

About [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine

[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine (PubChem CID 102818800) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine
PubChem CID102818800
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine
SMILESCc1nsc(Sc2cc(F)cc(CN)c2)n1
InChIInChI=1S/C10H10FN3S2/c1-6-13-10(16-14-6)15-9-3-7(5-12)2-8(11)4-9/h2-4H,5,12H2,1H3
InChIKeyQRUKIUVIOGFIJJ-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine (CID 102818800) is [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine is Cc1nsc(Sc2cc(F)cc(CN)c2)n1.
What is the InChIKey of [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine?
The InChIKey is QRUKIUVIOGFIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-6-13-10(16-14-6)15-9-3-7(5-12)2-8(11)4-9/h2-4H,5,12H2,1H3.
What are the key properties of [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine?
[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine has a molecular weight of 255.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 102818800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).