N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

C16H12FN5OS3 — CID 18098820

IUPACN-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Sc1nnc(Nc2ccc(F)cc2)s1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H12FN5OS3/c1-9(13-19-20-14(23-13)12-3-2-8-24-12)25-16-22-21-15(26-16)18-11-6-4-10(17)5-7-11/h2-9H,1H3,(H,18,21)
InChIKeyHMSUCPSVTITIPL-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.39
Rot. Bonds6

About N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18098820) has the molecular formula C16H12FN5OS3 and a molecular weight of 405.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18098820
Molecular FormulaC16H12FN5OS3
Molecular Weight405.51 g/mol
Exact Mass405.02
IUPAC NameN-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Sc1nnc(Nc2ccc(F)cc2)s1)c1nnc(-c2cccs2)o1
InChIInChI=1S/C16H12FN5OS3/c1-9(13-19-20-14(23-13)12-3-2-8-24-12)25-16-22-21-15(26-16)18-11-6-4-10(17)5-7-11/h2-9H,1H3,(H,18,21)
InChIKeyHMSUCPSVTITIPL-UHFFFAOYSA-N
XLogP5.39
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 18098820) is N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is CC(Sc1nnc(Nc2ccc(F)cc2)s1)c1nnc(-c2cccs2)o1.
What is the InChIKey of N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HMSUCPSVTITIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5OS3/c1-9(13-19-20-14(23-13)12-3-2-8-24-12)25-16-22-21-15(26-16)18-11-6-4-10(17)5-7-11/h2-9H,1H3,(H,18,21).
What are the key properties of N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 405.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18098820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).