(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine

C13H22N4O2S — CID 164640503

IUPAC(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine
SMILESCCc1nsc(N2CCO[C@@H](CN3CCOCC3)C2)n1
InChIInChI=1S/C13H22N4O2S/c1-2-12-14-13(20-15-12)17-5-8-19-11(10-17)9-16-3-6-18-7-4-16/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyLRERHZDSOJFJQG-NSHDSACASA-N
MW298.41 g/mol
LogP0.64
Rot. Bonds4

About (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine

(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine (PubChem CID 164640503) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine
PubChem CID164640503
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine
SMILESCCc1nsc(N2CCO[C@@H](CN3CCOCC3)C2)n1
InChIInChI=1S/C13H22N4O2S/c1-2-12-14-13(20-15-12)17-5-8-19-11(10-17)9-16-3-6-18-7-4-16/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyLRERHZDSOJFJQG-NSHDSACASA-N
XLogP0.64
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methyl-methylamino]acetamide
CID 128969383
2-(morpholin-4-ylmethyl)-4-(2,5,6-trimethylpyrimidin-4-yl)morpholine
CID 146148962
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363593
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-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
CID 66213193
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 127418050
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136561948
4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine
CID 126823553
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine?
The IUPAC name of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine (CID 164640503) is (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine is CCc1nsc(N2CCO[C@@H](CN3CCOCC3)C2)n1.
What is the InChIKey of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine?
The InChIKey is LRERHZDSOJFJQG-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-12-14-13(20-15-12)17-5-8-19-11(10-17)9-16-3-6-18-7-4-16/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine?
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine has a molecular weight of 298.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine is sourced from PubChem (CID 164640503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).