N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine

C13H25N3O2S — CID 106667586

IUPACN-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCOc1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C13H25N3O2S/c1-12(2,3)14-9-10-15-16-11(19-10)18-8-7-13(4,5)17-6/h14H,7-9H2,1-6H3
InChIKeyXROUXEAJTVIMCD-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.62
Rot. Bonds7

About N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 106667586) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID106667586
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)(C)CCOc1nnc(CNC(C)(C)C)s1
InChIInChI=1S/C13H25N3O2S/c1-12(2,3)14-9-10-15-16-11(19-10)18-8-7-13(4,5)17-6/h14H,7-9H2,1-6H3
InChIKeyXROUXEAJTVIMCD-UHFFFAOYSA-N
XLogP2.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-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

2-(chloromethyl)-5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazole
CID 106666386
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 78974931
N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624275
2-methyl-N-[[5-(3-methylbut-3-enoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 114470615
2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80619924
2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623770
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624786
N-[[2-(3-methoxy-3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 103032778
N-[[5-(3-methoxypropoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624548
N-[[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624313
N-[[5-(2-cyclopropylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 106205491
N-[[5-(2-methoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 80623292

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 106667586) is N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine is COC(C)(C)CCOc1nnc(CNC(C)(C)C)s1.
What is the InChIKey of N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XROUXEAJTVIMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-12(2,3)14-9-10-15-16-11(19-10)18-8-7-13(4,5)17-6/h14H,7-9H2,1-6H3.
What are the key properties of N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxy-3-methylbutoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106667586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).