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

C12H10N4O2S — CID 43301993

IUPAC5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nnc(-c3ccco3)o2)cn1
InChIInChI=1S/C12H10N4O2S/c13-10-4-3-8(6-14-10)19-7-11-15-16-12(18-11)9-2-1-5-17-9/h1-6H,7H2,(H2,13,14)
InChIKeyZEEGDLLBQCFUEC-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.60
Rot. Bonds4

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

5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine (PubChem CID 43301993) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
PubChem CID43301993
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nnc(-c3ccco3)o2)cn1
InChIInChI=1S/C12H10N4O2S/c13-10-4-3-8(6-14-10)19-7-11-15-16-12(18-11)9-2-1-5-17-9/h1-6H,7H2,(H2,13,14)
InChIKeyZEEGDLLBQCFUEC-UHFFFAOYSA-N
XLogP2.60
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301756
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302148
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79140871
2-(furan-2-yl)-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 7889194
2-(furan-2-yl)-5-(quinolin-8-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 5135689
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-(furan-2-yl)-5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7888433
2-(furan-2-yl)-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8569855
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 7887121
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 9408314
2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine (CID 43301993) is 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2nnc(-c3ccco3)o2)cn1.
What is the InChIKey of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
The InChIKey is ZEEGDLLBQCFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c13-10-4-3-8(6-14-10)19-7-11-15-16-12(18-11)9-2-1-5-17-9/h1-6H,7H2,(H2,13,14).
What are the key properties of 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine?
5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine has a molecular weight of 274.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).