N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C9H18N4OS — CID 103952476

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOCCN(C)C)n1
InChIInChI=1S/C9H18N4OS/c1-8-11-9(15-12-8)10-4-6-14-7-5-13(2)3/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyPICGEOHYQOKFJX-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.84
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 103952476) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID103952476
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCOCCN(C)C)n1
InChIInChI=1S/C9H18N4OS/c1-8-11-9(15-12-8)10-4-6-14-7-5-13(2)3/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyPICGEOHYQOKFJX-UHFFFAOYSA-N
XLogP0.84
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65268031
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107390179
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
CID 103875675
3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
CID 115657618
N-(2-ethylsulfonylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 103894511

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 103952476) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCOCCN(C)C)n1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PICGEOHYQOKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-8-11-9(15-12-8)10-4-6-14-7-5-13(2)3/h4-7H2,1-3H3,(H,10,11,12).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 230.34 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103952476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).