N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

C11H21N3OS — CID 103022781

IUPACN-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C(C)(C)OC)s1
InChIInChI=1S/C11H21N3OS/c1-5-7-12-8-6-9-13-14-10(16-9)11(2,3)15-4/h12H,5-8H2,1-4H3
InChIKeyZIAXRKJTSZSBJT-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.96
Rot. Bonds7

About N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 103022781) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
PubChem CID103022781
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C(C)(C)OC)s1
InChIInChI=1S/C11H21N3OS/c1-5-7-12-8-6-9-13-14-10(16-9)11(2,3)15-4/h12H,5-8H2,1-4H3
InChIKeyZIAXRKJTSZSBJT-UHFFFAOYSA-N
XLogP1.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.96
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-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103022742
N-(2-methoxyethyl)-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104633095
N-[2-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 103213374
N-propyl-3-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113435287
N-[[4-tert-butyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114362715
N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 106829297
1-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103022738
N-methyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104633078
3-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103022428
N-[[5-[(2-methylpropan-2-yl)oxy]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623506
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434
5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 68832727

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (CID 103022781) is N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(C(C)(C)OC)s1.
What is the InChIKey of N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is ZIAXRKJTSZSBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-7-12-8-6-9-13-14-10(16-9)11(2,3)15-4/h12H,5-8H2,1-4H3.
What are the key properties of N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 243.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103022781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).