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

C11H20N4OS — CID 139004617

IUPAC3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-9-13-10(17-14-9)12-8-11(2,3)15-4-6-16-7-5-15/h4-8H2,1-3H3,(H,12,13,14)
InChIKeyNWCIPTVWYVWWDE-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.37
Rot. Bonds4

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

3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 139004617) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID139004617
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(C)(C)N2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-9-13-10(17-14-9)12-8-11(2,3)15-4-6-16-7-5-15/h4-8H2,1-3H3,(H,12,13,14)
InChIKeyNWCIPTVWYVWWDE-UHFFFAOYSA-N
XLogP1.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 139004617) is 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC(C)(C)N2CCOCC2)n1.
What is the InChIKey of 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NWCIPTVWYVWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9-13-10(17-14-9)12-8-11(2,3)15-4-6-16-7-5-15/h4-8H2,1-3H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 256.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 139004617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).