N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine

C11H11N5O2S — CID 50957057

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1CNCc1nc(-c2ccco2)no1
InChIInChI=1S/C11H11N5O2S/c1-7-9(19-16-14-7)5-12-6-10-13-11(15-18-10)8-3-2-4-17-8/h2-4,12H,5-6H2,1H3
InChIKeyIYMHTDZIXOVNBD-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.78
Rot. Bonds5

About N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 50957057) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine
PubChem CID50957057
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCc1nnsc1CNCc1nc(-c2ccco2)no1
InChIInChI=1S/C11H11N5O2S/c1-7-9(19-16-14-7)5-12-6-10-13-11(15-18-10)8-3-2-4-17-8/h2-4,12H,5-6H2,1H3
InChIKeyIYMHTDZIXOVNBD-UHFFFAOYSA-N
XLogP1.78
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine (CID 50957057) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine is Cc1nnsc1CNCc1nc(-c2ccco2)no1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is IYMHTDZIXOVNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-7-9(19-16-14-7)5-12-6-10-13-11(15-18-10)8-3-2-4-17-8/h2-4,12H,5-6H2,1H3.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 277.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 50957057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).