N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

C8H15N3OS2 — CID 62576429

IUPACN-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCOCCNCC(C)Sc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-7(5-9-3-4-12-2)14-8-11-10-6-13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyWENLTTNKQQAADS-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.25
Rot. Bonds7

About N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine

N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 62576429) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
PubChem CID62576429
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC NameN-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCOCCNCC(C)Sc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-7(5-9-3-4-12-2)14-8-11-10-6-13-8/h6-7,9H,3-5H2,1-2H3
InChIKeyWENLTTNKQQAADS-UHFFFAOYSA-N
XLogP1.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62579170
N-(2-methoxyethyl)-2-(5-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62581397
N-(2-methoxyethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 65041082
1-methoxy-N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-amine
CID 107511336
2-methoxy-N-[[2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]ethanamine
CID 63806169
3-(1,3,4-thiadiazol-2-ylsulfanyl)butanehydrazide
CID 63582668
2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62583714
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
CID 66224085
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62577032
N-(2-methoxyethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propan-1-amine
CID 55091984
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-3-amine
CID 64650763
2-methyl-2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
CID 64709549

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (CID 62576429) is N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is COCCNCC(C)Sc1nncs1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is WENLTTNKQQAADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-7(5-9-3-4-12-2)14-8-11-10-6-13-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 62576429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).