2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

C11H12FN3S2 — CID 55018849

IUPAC2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SC(CN)c2ccccc2F)s1
InChIInChI=1S/C11H12FN3S2/c1-7-14-15-11(16-7)17-10(6-13)8-4-2-3-5-9(8)12/h2-5,10H,6,13H2,1H3
InChIKeyLDPACPBOCFRZRZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine

2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 55018849) has the molecular formula C11H12FN3S2 and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID55018849
Molecular FormulaC11H12FN3S2
Molecular Weight269.37 g/mol
Exact Mass269.05
IUPAC Name2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCc1nnc(SC(CN)c2ccccc2F)s1
InChIInChI=1S/C11H12FN3S2/c1-7-14-15-11(16-7)17-10(6-13)8-4-2-3-5-9(8)12/h2-5,10H,6,13H2,1H3
InChIKeyLDPACPBOCFRZRZ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 55018849) is 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is Cc1nnc(SC(CN)c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is LDPACPBOCFRZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S2/c1-7-14-15-11(16-7)17-10(6-13)8-4-2-3-5-9(8)12/h2-5,10H,6,13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 55018849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).