4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine

C14H24N4OS — CID 126823553

IUPAC4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine
SMILESCCc1nsc(N2CCC(N3CCOCC3C)CC2)n1
InChIInChI=1S/C14H24N4OS/c1-3-13-15-14(20-16-13)17-6-4-12(5-7-17)18-8-9-19-10-11(18)2/h11-12H,3-10H2,1-2H3
InChIKeyGJYDOKFJWDVISN-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.79
Rot. Bonds3

About 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine

4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine (PubChem CID 126823553) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine
PubChem CID126823553
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine
SMILESCCc1nsc(N2CCC(N3CCOCC3C)CC2)n1
InChIInChI=1S/C14H24N4OS/c1-3-13-15-14(20-16-13)17-6-4-12(5-7-17)18-8-9-19-10-11(18)2/h11-12H,3-10H2,1-2H3
InChIKeyGJYDOKFJWDVISN-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83095298
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
4-cyclobutyl-3-methylmorpholine
CID 131084475
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
CID 124889064
4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
CID 133484390
3-ethyl-5-piperazin-1-yl-1,2,4-thiadiazole
CID 53403990
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136561948
(3R)-4-(1-tert-butylpiperidin-4-yl)-3-methylmorpholine
CID 118531607
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine
CID 164640503

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine?
The IUPAC name of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine (CID 126823553) is 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine?
The canonical SMILES for 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine is CCc1nsc(N2CCC(N3CCOCC3C)CC2)n1.
What is the InChIKey of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine?
The InChIKey is GJYDOKFJWDVISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-13-15-14(20-16-13)17-6-4-12(5-7-17)18-8-9-19-10-11(18)2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine?
4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine has a molecular weight of 296.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 126823553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).