5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H18N4OS2 — CID 63736829

IUPAC5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-13(2)8-11-12-9(16-8)15-7-5-10-4-6-14-3/h10H,4-7H2,1-3H3
InChIKeyQLVLEXKRSVDHHO-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.93
Rot. Bonds8

About 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736829) has the molecular formula C9H18N4OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736829
Molecular FormulaC9H18N4OS2
Molecular Weight262.40 g/mol
Exact Mass262.09
IUPAC Name5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-13(2)8-11-12-9(16-8)15-7-5-10-4-6-14-3/h10H,4-7H2,1-3H3
InChIKeyQLVLEXKRSVDHHO-UHFFFAOYSA-N
XLogP0.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-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

N-(2-methoxyethyl)-N'-[3-(methylsulfanyl)propyl]-1,3,4-thiadiazole-2,5-diamine
CID 20324760
2-[[5-(2-Methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetonitrile
CID 7969635
N-ethyl-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 17398214
5-(2-morpholin-4-ylethylsulfanyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 17398234
N-(2-methoxyethyl)-5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 32107785
N,N-diethyl-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 45674686
5-butylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 52482854
5-[2-(4-ethoxybutylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241057
5-[2-(2-ethoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241828
N-(2-methoxyethyl)-5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 60352744
N-(2-methoxyethyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 60352751
5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736641

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736829) is 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COCCNCCSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QLVLEXKRSVDHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS2/c1-13(2)8-11-12-9(16-8)15-7-5-10-4-6-14-3/h10H,4-7H2,1-3H3.
What are the key properties of 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 262.40 g/mol, XLogP of 0.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).