2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

C12H22N4OS — CID 106959981

IUPAC2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CCCSCC2)o1
InChIInChI=1S/C12H22N4OS/c1-10(2)8-13-9-11-14-15-12(17-11)16-4-3-6-18-7-5-16/h10,13H,3-9H2,1-2H3
InChIKeyIDNOWZYTQGQAGB-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.76
Rot. Bonds5

About 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 106959981) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID106959981
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(N2CCCSCC2)o1
InChIInChI=1S/C12H22N4OS/c1-10(2)8-13-9-11-14-15-12(17-11)16-4-3-6-18-7-5-16/h10,13H,3-9H2,1-2H3
InChIKeyIDNOWZYTQGQAGB-UHFFFAOYSA-N
XLogP1.76
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-(4-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961278
N-[[5-(4,4-diethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106961110
2-methyl-N-[[5-(4-propylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960422
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
CID 106967389
2-[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106959975
2-methyl-N-[[5-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106965895
N-[[5-(3,4-dimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106965328
2-methyl-N-[[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106962739
4-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]piperazine-2,6-dione
CID 106962540
N-[[5-(2,2-dimethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106969407
N-[[5-(3-ethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106964439
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106962939

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 106959981) is 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nnc(N2CCCSCC2)o1.
What is the InChIKey of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is IDNOWZYTQGQAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-10(2)8-13-9-11-14-15-12(17-11)16-4-3-6-18-7-5-16/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 270.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1,4-thiazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106959981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).