N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine

C9H16N4O2S — CID 123960488

IUPACN-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCNc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C9H16N4O2S/c1-14-7-10-9-11-8(12-16-9)6-13-2-4-15-5-3-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyZWDFRGDDTDJABK-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.39
Rot. Bonds5

About N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine

N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 123960488) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID123960488
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCNc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C9H16N4O2S/c1-14-7-10-9-11-8(12-16-9)6-13-2-4-15-5-3-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyZWDFRGDDTDJABK-UHFFFAOYSA-N
XLogP0.39
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304684
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 146129501
N-[2-(3-methylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 154735956
3-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 71866355
1-[4-[2-[[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 72112069
N,N'-dimethyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]urea
CID 56693046
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65267457
3-methyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65267561
N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 65267765
3-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267858
N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
CID 65267887

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 123960488) is N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine is COCNc1nc(CN2CCOCC2)ns1.
What is the InChIKey of N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZWDFRGDDTDJABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-14-7-10-9-11-8(12-16-9)6-13-2-4-15-5-3-13/h2-7H2,1H3,(H,10,11,12).
What are the key properties of N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 244.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 123960488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).