N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine

C10H19N3OS2 — CID 62576397

IUPACN-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCOCCNCCCCSc1nnc(C)s1
InChIInChI=1S/C10H19N3OS2/c1-9-12-13-10(16-9)15-8-4-3-5-11-6-7-14-2/h11H,3-8H2,1-2H3
InChIKeyCMDMEEAORXFMTM-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.95
Rot. Bonds9

About N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine

N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine (PubChem CID 62576397) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
PubChem CID62576397
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC NameN-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
SMILESCOCCNCCCCSc1nnc(C)s1
InChIInChI=1S/C10H19N3OS2/c1-9-12-13-10(16-9)15-8-4-3-5-11-6-7-14-2/h11H,3-8H2,1-2H3
InChIKeyCMDMEEAORXFMTM-UHFFFAOYSA-N
XLogP1.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 51.95
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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine (CID 62576397) is N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine is COCCNCCCCSc1nnc(C)s1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
The InChIKey is CMDMEEAORXFMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-9-12-13-10(16-9)15-8-4-3-5-11-6-7-14-2/h11H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine?
N-(2-methoxyethyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine has a molecular weight of 261.42 g/mol, XLogP of 1.95, 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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine is sourced from PubChem (CID 62576397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).