5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H22N4S2 — CID 64610261

IUPAC5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCC(CSc1nnc(N(C)C)s1)NCC
InChIInChI=1S/C11H22N4S2/c1-5-7-9(12-6-2)8-16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyNHTGSTAYYUVYOU-UHFFFAOYSA-N
MW274.46 g/mol
LogP2.47
Rot. Bonds8

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

5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64610261) has the molecular formula C11H22N4S2 and a molecular weight of 274.46 g/mol. Its IUPAC name is 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64610261
Molecular FormulaC11H22N4S2
Molecular Weight274.46 g/mol
Exact Mass274.13
IUPAC Name5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCCC(CSc1nnc(N(C)C)s1)NCC
InChIInChI=1S/C11H22N4S2/c1-5-7-9(12-6-2)8-16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3
InChIKeyNHTGSTAYYUVYOU-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(ethylamino)pentylsulfanyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64610261) is 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCCC(CSc1nnc(N(C)C)s1)NCC.
What is the InChIKey of 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NHTGSTAYYUVYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S2/c1-5-7-9(12-6-2)8-16-11-14-13-10(17-11)15(3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 274.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)pentylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64610261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).