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

C10H20N4OS2 — CID 63736995

IUPAC5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-8(7-11-5-6-15-4)16-10-13-12-9(17-10)14(2)3/h8,11H,5-7H2,1-4H3
InChIKeyWMQWJWXAIJBCED-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.32
Rot. Bonds8

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

5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736995) has the molecular formula C10H20N4OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736995
Molecular FormulaC10H20N4OS2
Molecular Weight276.43 g/mol
Exact Mass276.11
IUPAC Name5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-8(7-11-5-6-15-4)16-10-13-12-9(17-10)14(2)3/h8,11H,5-7H2,1-4H3
InChIKeyWMQWJWXAIJBCED-UHFFFAOYSA-N
XLogP1.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-(2-methoxyethyl)-N'-[3-(methylsulfanyl)propyl]-1,3,4-thiadiazole-2,5-diamine
CID 20324760
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
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
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 55242984
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
5-[2-(2-butoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736822

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736995) is 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COCCNCC(C)Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WMQWJWXAIJBCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS2/c1-8(7-11-5-6-15-4)16-10-13-12-9(17-10)14(2)3/h8,11H,5-7H2,1-4H3.
What are the key properties of 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).