N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

C10H19N5OS — CID 65267887

IUPACN-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(N2CCN(C)CC2)ns1
InChIInChI=1S/C10H19N5OS/c1-14-4-6-15(7-5-14)9-12-10(17-13-9)11-3-8-16-2/h3-8H2,1-2H3,(H,11,12,13)
InChIKeyGHVCURQCWLCHKU-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.35
Rot. Bonds5

About N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267887) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65267887
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC NameN-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(N2CCN(C)CC2)ns1
InChIInChI=1S/C10H19N5OS/c1-14-4-6-15(7-5-14)9-12-10(17-13-9)11-3-8-16-2/h3-8H2,1-2H3,(H,11,12,13)
InChIKeyGHVCURQCWLCHKU-UHFFFAOYSA-N
XLogP0.35
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.35
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

3-(Morpholin-4-yl)-1,2,4-thiadiazol-5-amine
CID 21688987
N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268966
N-tert-butyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 65269181
3-morpholin-4-yl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269219
1-(3-Methoxy-[1,2,4]-thiadiazol-5-yl)piperazine
CID 68530741
N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 123960488
N-butan-2-yl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 169660613
ethane;N-methyl-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 172263829
ethane;N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 172264051
CID 172749453
CID 172749453
3-Morpholin-4-yl-1,2,4-thiadiazol-5-amine;hydrochloride
CID 176276677
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65267457

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (CID 65267887) is N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(N2CCN(C)CC2)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GHVCURQCWLCHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-14-4-6-15(7-5-14)9-12-10(17-13-9)11-3-8-16-2/h3-8H2,1-2H3,(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 257.36 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).