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

C6H7N5OS — CID 65215755

IUPACN-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2csnn2)o1
InChIInChI=1S/C6H7N5OS/c1-7-2-5-9-10-6(12-5)4-3-13-11-8-4/h3,7H,2H2,1H3
InChIKeyXAVUJSIPHWOMGY-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.31
Rot. Bonds3

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

N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 65215755) has the molecular formula C6H7N5OS and a molecular weight of 197.22 g/mol. Its IUPAC name is N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID65215755
Molecular FormulaC6H7N5OS
Molecular Weight197.22 g/mol
Exact Mass197.04
IUPAC NameN-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(-c2csnn2)o1
InChIInChI=1S/C6H7N5OS/c1-7-2-5-9-10-6(12-5)4-3-13-11-8-4/h3,7H,2H2,1H3
InChIKeyXAVUJSIPHWOMGY-UHFFFAOYSA-N
XLogP0.31
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 65215755) is N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(-c2csnn2)o1.
What is the InChIKey of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is XAVUJSIPHWOMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5OS/c1-7-2-5-9-10-6(12-5)4-3-13-11-8-4/h3,7H,2H2,1H3.
What are the key properties of N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 197.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 65215755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).