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

C11H20N4OS — CID 65271084

IUPACN-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-2-3-10-13-11(17-14-10)12-4-5-15-6-8-16-9-7-15/h2-9H2,1H3,(H,12,13,14)
InChIKeyBTGQQJBYDDOUQG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.23
Rot. Bonds6

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

N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271084) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271084
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H20N4OS/c1-2-3-10-13-11(17-14-10)12-4-5-15-6-8-16-9-7-15/h2-9H2,1H3,(H,12,13,14)
InChIKeyBTGQQJBYDDOUQG-UHFFFAOYSA-N
XLogP1.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 84591120
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-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304700
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304840
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305031
N-[(4-ethylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305195
N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305520
2-methoxy-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methyl]ethanamine
CID 107305956
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]ethanamine
CID 107305974
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
CID 107305975
N-[[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methyl]propan-1-amine
CID 107305976

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271084) is N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCN2CCOCC2)n1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is BTGQQJBYDDOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-2-3-10-13-11(17-14-10)12-4-5-15-6-8-16-9-7-15/h2-9H2,1H3,(H,12,13,14).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(2-morpholin-4-ylethyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 256.37 g/mol, XLogP of 1.23, 6 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-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).