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

C9H17N3OS2 — CID 62577464

IUPACN-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESCOCCNCCCCSc1nncs1
InChIInChI=1S/C9H17N3OS2/c1-13-6-5-10-4-2-3-7-14-9-12-11-8-15-9/h8,10H,2-7H2,1H3
InChIKeyAFHPVVQSEZHGRX-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.65
Rot. Bonds9

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

N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (PubChem CID 62577464) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
PubChem CID62577464
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC NameN-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
SMILESCOCCNCCCCSc1nncs1
InChIInChI=1S/C9H17N3OS2/c1-13-6-5-10-4-2-3-7-14-9-12-11-8-15-9/h8,10H,2-7H2,1H3
InChIKeyAFHPVVQSEZHGRX-UHFFFAOYSA-N
XLogP1.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166402
N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 62576397
N-(2-methoxyethyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576429
N-(3-ethoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62576844
3-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62576848
N-(3-methoxypropyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62577050
N-propyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577255
3-propan-2-yloxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62577261
3-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 62577670
2-methoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62577673
N-(2-methoxyethyl)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 62577886
2-ethoxy-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62578532

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine (CID 62577464) is N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is COCCNCCCCSc1nncs1.
What is the InChIKey of N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
The InChIKey is AFHPVVQSEZHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-13-6-5-10-4-2-3-7-14-9-12-11-8-15-9/h8,10H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine?
N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 62577464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).