5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C13H15N5O2S2 — CID 43052764

IUPAC5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNc1nnc(SCc2nc(-c3ccco3)no2)s1
InChIInChI=1S/C13H15N5O2S2/c1-8(2)6-14-12-16-17-13(22-12)21-7-10-15-11(18-20-10)9-4-3-5-19-9/h3-5,8H,6-7H2,1-2H3,(H,14,16)
InChIKeyBFDLBWBIIWVHEJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.54
Rot. Bonds7

About 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 43052764) has the molecular formula C13H15N5O2S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID43052764
Molecular FormulaC13H15N5O2S2
Molecular Weight337.43 g/mol
Exact Mass337.07
IUPAC Name5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)CNc1nnc(SCc2nc(-c3ccco3)no2)s1
InChIInChI=1S/C13H15N5O2S2/c1-8(2)6-14-12-16-17-13(22-12)21-7-10-15-11(18-20-10)9-4-3-5-19-9/h3-5,8H,6-7H2,1-2H3,(H,14,16)
InChIKeyBFDLBWBIIWVHEJ-UHFFFAOYSA-N
XLogP3.54
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47153877
N-(furan-2-ylmethyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 26027813
N-ethyl-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 42955623
N-ethyl-5-[(1S)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 36983445
5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 42955614
5-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 36808968
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66224314
5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 36793751
[5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630271
2-[3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294448
5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 45100222
N-[(4-fluorophenyl)methyl]-5-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24522348

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 43052764) is 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)CNc1nnc(SCc2nc(-c3ccco3)no2)s1.
What is the InChIKey of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BFDLBWBIIWVHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S2/c1-8(2)6-14-12-16-17-13(22-12)21-7-10-15-11(18-20-10)9-4-3-5-19-9/h3-5,8H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 337.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 43052764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).