3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine

C14H27N3OS — CID 114754218

IUPAC3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCCCCCCc1nnc(CCCNCCOC)s1
InChIInChI=1S/C14H27N3OS/c1-3-4-5-6-8-13-16-17-14(19-13)9-7-10-15-11-12-18-2/h15H,3-12H2,1-2H3
InChIKeyKPOZQXZOPNLCJY-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.83
Rot. Bonds12

About 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine

3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 114754218) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID114754218
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCCCCCCc1nnc(CCCNCCOC)s1
InChIInChI=1S/C14H27N3OS/c1-3-4-5-6-8-13-16-17-14(19-13)9-7-10-15-11-12-18-2/h15H,3-12H2,1-2H3
InChIKeyKPOZQXZOPNLCJY-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.83
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-methoxyethyl)-3-[5-(propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 112605790
N-(2-methoxyethyl)-3-[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 83138106
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-(2-methoxyethyl)-3-[5-(1-methylsulfonylethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 104522764
2-heptyl-5-methyl-1,3,4-thiadiazole
CID 139417384
N-[2-(5-hexyl-1,3,4-thiadiazol-2-yl)ethyl]propan-2-amine
CID 114754233
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
N-(2-methoxyethyl)-3-[5-(2-methylsulfanylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 79212727
3-[5-[3-(2-methoxyethylamino)propyl]-1,3,4-thiadiazol-2-yl]-2-methylphenol
CID 82811298
2-bromo-5-nonyl-1,3,4-thiadiazole
CID 65426621
3-[5-(2-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 81448876
2-methyl-N-[3-[5-(propoxymethyl)-1,3,4-thiadiazol-2-yl]propyl]propan-1-amine
CID 107941994

Frequently Asked Questions

What is the IUPAC name of 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine (CID 114754218) is 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine is CCCCCCc1nnc(CCCNCCOC)s1.
What is the InChIKey of 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is KPOZQXZOPNLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-3-4-5-6-8-13-16-17-14(19-13)9-7-10-15-11-12-18-2/h15H,3-12H2,1-2H3.
What are the key properties of 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine?
3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 2.83, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hexyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 114754218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).