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

C11H21N3OS — CID 103022742

IUPACN-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(C(C)(C)OC)s1
InChIInChI=1S/C11H21N3OS/c1-5-12-8-6-7-9-13-14-10(16-9)11(2,3)15-4/h12H,5-8H2,1-4H3
InChIKeyHNGPMPHYSOVKCL-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.96
Rot. Bonds7

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

N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 103022742) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID103022742
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(C(C)(C)OC)s1
InChIInChI=1S/C11H21N3OS/c1-5-12-8-6-7-9-13-14-10(16-9)11(2,3)15-4/h12H,5-8H2,1-4H3
InChIKeyHNGPMPHYSOVKCL-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-[2-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 103022781
3-[5-(cycloheptylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 114459300
2-methyl-N-[3-[5-(1,1,2,2,2-pentafluoroethyl)-1,3,4-thiadiazol-2-yl]propyl]propan-2-amine
CID 104633036
N-propyl-3-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113435287
3-[5-(dicyclopropylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 112745188
N-ethyl-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 113422543
3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114754218
3-[5-(2-bromo-5-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81116623
N-(2-methoxyethyl)-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 104633095
3-[5-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 107185500
1-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 103022738
3-[5-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81306922

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 103022742) is N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CCNCCCc1nnc(C(C)(C)OC)s1.
What is the InChIKey of N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is HNGPMPHYSOVKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-12-8-6-7-9-13-14-10(16-9)11(2,3)15-4/h12H,5-8H2,1-4H3.
What are the key properties of N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]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-ethyl-3-[5-(2-methoxypropan-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 103022742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).