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

C11H20N4OS — CID 65271030

IUPACN-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-9(2)10-13-11(17-14-10)12-3-4-15-5-7-16-8-6-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyBADCKJVGJZKHJM-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.41
Rot. Bonds5

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

N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65271030) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65271030
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-9(2)10-13-11(17-14-10)12-3-4-15-5-7-16-8-6-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyBADCKJVGJZKHJM-UHFFFAOYSA-N
XLogP1.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65271030) is N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCCN2CCOCC2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BADCKJVGJZKHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-9(2)10-13-11(17-14-10)12-3-4-15-5-7-16-8-6-15/h9H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 256.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).