N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine

C12H15FN4S — CID 66878742

IUPACN'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C12H15FN4S/c1-17(7-6-14)12-15-11(16-18-12)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3
InChIKeyXLKDWEJHRRHLQH-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.66
Rot. Bonds5

About N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine

N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine (PubChem CID 66878742) has the molecular formula C12H15FN4S and a molecular weight of 266.35 g/mol. Its IUPAC name is N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine
PubChem CID66878742
Molecular FormulaC12H15FN4S
Molecular Weight266.35 g/mol
Exact Mass266.10
IUPAC NameN'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)c1nc(Cc2ccc(F)cc2)ns1
InChIInChI=1S/C12H15FN4S/c1-17(7-6-14)12-15-11(16-18-12)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3
InChIKeyXLKDWEJHRRHLQH-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine (CID 66878742) is N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine is CN(CCN)c1nc(Cc2ccc(F)cc2)ns1.
What is the InChIKey of N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine?
The InChIKey is XLKDWEJHRRHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-17(7-6-14)12-15-11(16-18-12)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3.
What are the key properties of N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine?
N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 66878742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).