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

C10H20N4OS2 — CID 63736989

IUPAC5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-14(2)9-12-13-10(17-9)16-8-6-11-5-4-7-15-3/h11H,4-8H2,1-3H3
InChIKeyDJMIJSQFOLQHTH-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.32
Rot. Bonds9

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

5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63736989) has the molecular formula C10H20N4OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63736989
Molecular FormulaC10H20N4OS2
Molecular Weight276.43 g/mol
Exact Mass276.11
IUPAC Name5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCOCCCNCCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-14(2)9-12-13-10(17-9)16-8-6-11-5-4-7-15-3/h11H,4-8H2,1-3H3
InChIKeyDJMIJSQFOLQHTH-UHFFFAOYSA-N
XLogP1.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
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'}

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Related Compounds

N-(3-methoxypropyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24471908
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,N-dimethyl-5-[2-(oxolan-3-ylmethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55242021
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 60278796
5-(2-ethoxyethylsulfanyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 60601791
N,N-dimethyl-5-[2-(2-methylpropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736637
5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736641
5-[4-(ethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736646
5-[3-(ethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736805
N,N-dimethyl-5-[3-(methylamino)propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736806
5-[1-(butylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736820

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63736989) is 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is COCCCNCCSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DJMIJSQFOLQHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS2/c1-14(2)9-12-13-10(17-9)16-8-6-11-5-4-7-15-3/h11H,4-8H2,1-3H3.
What are the key properties of 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).