5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine

C12H15N3OS2 — CID 4819058

IUPAC5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(SCc2ccccc2)s1
InChIInChI=1S/C12H15N3OS2/c1-16-8-7-13-11-14-15-12(18-11)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyGEXGVDKNGRJHIB-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.89
Rot. Bonds7

About 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine

5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4819058) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID4819058
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(SCc2ccccc2)s1
InChIInChI=1S/C12H15N3OS2/c1-16-8-7-13-11-14-15-12(18-11)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyGEXGVDKNGRJHIB-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-benzylsulfanyl-N-(2-methoxyethyl)-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)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7969896
4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide
CID 7965312
N-benzyl-5-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 55453374
5-[(6-amino-2-pyridinyl)methylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 119050665
5-[2-(benzenesulfonyl)ethylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 55479428
N-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2113200
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 3591785
N-(2-methoxyethyl)-5-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43043669
(2S)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 7969419
methyl 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 55755780
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 43036478
N-(3-fluorophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7965254

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine (CID 4819058) is 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine is COCCNc1nnc(SCc2ccccc2)s1.
What is the InChIKey of 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GEXGVDKNGRJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-16-8-7-13-11-14-15-12(18-11)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine?
5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4819058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).