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

C11H12FN3S2 — CID 107880566

IUPAC[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1nsc(SCc2ccc(F)c(CN)c2)n1
InChIInChI=1S/C11H12FN3S2/c1-7-14-11(17-15-7)16-6-8-2-3-10(12)9(4-8)5-13/h2-4H,5-6,13H2,1H3
InChIKeyYENFNPLAXMEJFR-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.74
Rot. Bonds4

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

[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine (PubChem CID 107880566) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine
PubChem CID107880566
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC Name[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine
SMILESCc1nsc(SCc2ccc(F)c(CN)c2)n1
InChIInChI=1S/C11H12FN3S2/c1-7-14-11(17-15-7)16-6-8-2-3-10(12)9(4-8)5-13/h2-4H,5-6,13H2,1H3
InChIKeyYENFNPLAXMEJFR-UHFFFAOYSA-N
XLogP2.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345287
[5-[(2,4-difluorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107880481
5-[(4-bromo-3-nitrophenyl)methylsulfanyl]-3-methyl-1,2,4-thiadiazole
CID 115558308
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[2-fluoro-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107880544
2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide
CID 106792003
[2-fluoro-5-(3-methylbutan-2-ylsulfanylmethyl)phenyl]methanamine
CID 107880581
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133426349
[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 62304801
[3-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methanamine
CID 102818800
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine (CID 107880566) is [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine is Cc1nsc(SCc2ccc(F)c(CN)c2)n1.
What is the InChIKey of [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is YENFNPLAXMEJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-7-14-11(17-15-7)16-6-8-2-3-10(12)9(4-8)5-13/h2-4H,5-6,13H2,1H3.
What are the key properties of [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine?
[2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 107880566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).