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

C12H11N5OS — CID 65215921

IUPACN-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNC(c1ccccc1)c1nnc(-c2csnn2)o1
InChIInChI=1S/C12H11N5OS/c1-13-10(8-5-3-2-4-6-8)12-16-15-11(18-12)9-7-19-17-14-9/h2-7,10,13H,1H3
InChIKeyNAEKQQAJMGVGOI-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.90
Rot. Bonds4

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

N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 65215921) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID65215921
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC NameN-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNC(c1ccccc1)c1nnc(-c2csnn2)o1
InChIInChI=1S/C12H11N5OS/c1-13-10(8-5-3-2-4-6-8)12-16-15-11(18-12)9-7-19-17-14-9/h2-7,10,13H,1H3
InChIKeyNAEKQQAJMGVGOI-UHFFFAOYSA-N
XLogP1.90
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 65215921) is N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNC(c1ccccc1)c1nnc(-c2csnn2)o1.
What is the InChIKey of N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is NAEKQQAJMGVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-13-10(8-5-3-2-4-6-8)12-16-15-11(18-12)9-7-19-17-14-9/h2-7,10,13H,1H3.
What are the key properties of N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 273.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 65215921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).