3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine

C10H19N3OS — CID 43664048

IUPAC3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC(C)COCCCNCc1csnn1
InChIInChI=1S/C10H19N3OS/c1-9(2)7-14-5-3-4-11-6-10-8-15-13-12-10/h8-9,11H,3-7H2,1-2H3
InChIKeyXVTIWLCADLKPIO-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.69
Rot. Bonds8

About 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664048) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664048
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCC(C)COCCCNCc1csnn1
InChIInChI=1S/C10H19N3OS/c1-9(2)7-14-5-3-4-11-6-10-8-15-13-12-10/h8-9,11H,3-7H2,1-2H3
InChIKeyXVTIWLCADLKPIO-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828537
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 103083073
N-(thiadiazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115904722
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
Tert-butyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663779
Propyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663780
N-((1,2,3-Thiadiazol-4-yl)methyl)-2-methylbutan-2-amine
CID 43663793
2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663795
(2-Methylpropyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663797
(1-Methoxypropan-2-yl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663830
(3-Methylbutyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663872
[2-(Diethylamino)ethyl][(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663902

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664048) is 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine is CC(C)COCCCNCc1csnn1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is XVTIWLCADLKPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-9(2)7-14-5-3-4-11-6-10-8-15-13-12-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).