5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

C11H19N3OS — CID 126422630

IUPAC5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCCOC[C@H]1CCCCN1c1nc(C)ns1
InChIInChI=1S/C11H19N3OS/c1-3-15-8-10-6-4-5-7-14(10)11-12-9(2)13-16-11/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyAKXSIJNMDXVQNF-SNVBAGLBSA-N
MW241.36 g/mol
LogP2.24
Rot. Bonds4

About 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 126422630) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID126422630
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCCOC[C@H]1CCCCN1c1nc(C)ns1
InChIInChI=1S/C11H19N3OS/c1-3-15-8-10-6-4-5-7-14(10)11-12-9(2)13-16-11/h10H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyAKXSIJNMDXVQNF-SNVBAGLBSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847476
9-(3-Ethyl-1,2,4-thiadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916040
(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793337
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-methylpiperidin-2-yl]methanol
CID 126835894
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]propan-2-ol
CID 132380406
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97009069
(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793335
N-cyclopentyl-N-[(3R,4S)-4-fluorooxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 126856194
3-(2,2-Difluoroethyl)-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 167752893

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 126422630) is 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is CCOC[C@H]1CCCCN1c1nc(C)ns1.
What is the InChIKey of 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is AKXSIJNMDXVQNF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-15-8-10-6-4-5-7-14(10)11-12-9(2)13-16-11/h10H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 241.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(ethoxymethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 126422630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).