1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine

C11H12FN3OS2 — CID 107525456

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ncns2)cc1F
InChIInChI=1S/C11H12FN3OS2/c1-16-10-3-2-7(4-8(10)12)9(13)5-17-11-14-6-15-18-11/h2-4,6,9H,5,13H2,1H3
InChIKeyDTLCQEIDSUFQGF-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.48
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine

1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine (PubChem CID 107525456) has the molecular formula C11H12FN3OS2 and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
PubChem CID107525456
Molecular FormulaC11H12FN3OS2
Molecular Weight285.37 g/mol
Exact Mass285.04
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ncns2)cc1F
InChIInChI=1S/C11H12FN3OS2/c1-16-10-3-2-7(4-8(10)12)9(13)5-17-11-14-6-15-18-11/h2-4,6,9H,5,13H2,1H3
InChIKeyDTLCQEIDSUFQGF-UHFFFAOYSA-N
XLogP2.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66072105
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-[2-amino-2-(3-fluoro-4-methoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 107525316
3-[2-amino-2-(3-fluoro-4-methoxyphenyl)ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 107524976
2-[2-(diethylamino)ethylsulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107525302
1-(3-fluoro-4-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999768
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine (CID 107525456) is 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine is COc1ccc(C(N)CSc2ncns2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
The InChIKey is DTLCQEIDSUFQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3OS2/c1-16-10-3-2-7(4-8(10)12)9(13)5-17-11-14-6-15-18-11/h2-4,6,9H,5,13H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine?
1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine has a molecular weight of 285.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(1,2,4-thiadiazol-5-ylsulfanyl)ethanamine is sourced from PubChem (CID 107525456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).