(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C12H18N6O2S — CID 96500484

IUPAC(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCCOc1nnc(CN2CCO[C@@H](Cn3cncn3)C2)s1
InChIInChI=1S/C12H18N6O2S/c1-2-19-12-16-15-11(21-12)7-17-3-4-20-10(5-17)6-18-9-13-8-14-18/h8-10H,2-7H2,1H3/t10-/m1/s1
InChIKeyXFALQRAHQVKIJN-SNVBAGLBSA-N
MW310.38 g/mol
LogP0.43
Rot. Bonds6

About (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 96500484) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID96500484
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESCCOc1nnc(CN2CCO[C@@H](Cn3cncn3)C2)s1
InChIInChI=1S/C12H18N6O2S/c1-2-19-12-16-15-11(21-12)7-17-3-4-20-10(5-17)6-18-9-13-8-14-18/h8-10H,2-7H2,1H3/t10-/m1/s1
InChIKeyXFALQRAHQVKIJN-SNVBAGLBSA-N
XLogP0.43
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine
CID 102558208
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95346647
(2S)-4-(3-methylbut-2-enyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978876
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905
4-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 127720585
(2S)-4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978882
4-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 154748031
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 56802768
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352014
(2R)-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350971

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 96500484) is (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is CCOc1nnc(CN2CCO[C@@H](Cn3cncn3)C2)s1.
What is the InChIKey of (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is XFALQRAHQVKIJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-2-19-12-16-15-11(21-12)7-17-3-4-20-10(5-17)6-18-9-13-8-14-18/h8-10H,2-7H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 310.38 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 96500484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).