N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C7H13N3O2S — CID 107390179

IUPACN-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC(CNc1nc(C)ns1)OC
InChIInChI=1S/C7H13N3O2S/c1-5-9-7(13-10-5)8-4-6(11-2)12-3/h6H,4H2,1-3H3,(H,8,9,10)
InChIKeyDXDYRSVDUKSRHR-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.88
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 107390179) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID107390179
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC(CNc1nc(C)ns1)OC
InChIInChI=1S/C7H13N3O2S/c1-5-9-7(13-10-5)8-4-6(11-2)12-3/h6H,4H2,1-3H3,(H,8,9,10)
InChIKeyDXDYRSVDUKSRHR-UHFFFAOYSA-N
XLogP0.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 133352699
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
CID 65273013
3-methyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butanoic acid
CID 65267662
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268166
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
CID 103875675
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268030
N,N-diethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-1-phenylethane-1,2-diamine
CID 65268088
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-amine
CID 65272894
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103952476

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 107390179) is N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine is COC(CNc1nc(C)ns1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DXDYRSVDUKSRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-5-9-7(13-10-5)8-4-6(11-2)12-3/h6H,4H2,1-3H3,(H,8,9,10).
What are the key properties of N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 203.27 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107390179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).