2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

C13H23N3O2S — CID 80624652

IUPAC2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(OCC2CCCCO2)s1
InChIInChI=1S/C13H23N3O2S/c1-10(2)7-14-8-12-15-16-13(19-12)18-9-11-5-3-4-6-17-11/h10-11,14H,3-9H2,1-2H3
InChIKeyIVOPWEOLJIORCW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.23
Rot. Bonds7

About 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (PubChem CID 80624652) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
PubChem CID80624652
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnc(OCC2CCCCO2)s1
InChIInChI=1S/C13H23N3O2S/c1-10(2)7-14-8-12-15-16-13(19-12)18-9-11-5-3-4-6-17-11/h10-11,14H,3-9H2,1-2H3
InChIKeyIVOPWEOLJIORCW-UHFFFAOYSA-N
XLogP2.23
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(cyclopropylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623626
N-[(5-cycloheptyloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 80620557
2-methyl-N-[[6-(oxan-2-ylmethoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62291749
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 80623383
2-methyl-N-[[6-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291212
2-methyl-N-[[6-methyl-3-(oxan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79156998
2-methyl-N-[[2-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291392
2-methyl-N-[[5-(oxolan-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79794373
2-methyl-N-[[5-methyl-4-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720268
N-(2-methylpropyl)-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62443749
N-[[5-(cyclohexylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80619946
N-[[5-(oxan-4-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine (CID 80624652) is 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is CC(C)CNCc1nnc(OCC2CCCCO2)s1.
What is the InChIKey of 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is IVOPWEOLJIORCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(2)7-14-8-12-15-16-13(19-12)18-9-11-5-3-4-6-17-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(oxan-2-ylmethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 80624652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).