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

C9H16N4O2S — CID 65267765

IUPACN-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(N2CCOCC2)ns1
InChIInChI=1S/C9H16N4O2S/c1-14-5-2-10-9-11-8(12-16-9)13-3-6-15-7-4-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyLXYFWANFJHGPTH-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.43
Rot. Bonds5

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

N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65267765) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID65267765
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(N2CCOCC2)ns1
InChIInChI=1S/C9H16N4O2S/c1-14-5-2-10-9-11-8(12-16-9)13-3-6-15-7-4-13/h2-7H2,1H3,(H,10,11,12)
InChIKeyLXYFWANFJHGPTH-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
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
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
N,N-dibutyl-5-morpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 321850
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
4-(3-Propoxy-1,2,4-thiadiazol-5-yl)morpholine
CID 71100575
N-(methoxymethyl)-3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 123960488
N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
CID 140163506
N-butan-2-yl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 169660613
ethane;N-methyl-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 172264051
N-(azetidin-3-ylmethyl)-5-morpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 176009599

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (CID 65267765) is N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is COCCNc1nc(N2CCOCC2)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is LXYFWANFJHGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-14-5-2-10-9-11-8(12-16-9)13-3-6-15-7-4-13/h2-7H2,1H3,(H,10,11,12).
What are the key properties of N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 244.32 g/mol, XLogP of 0.43, 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-morpholin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).