3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole

C10H17N3OS — CID 43949596

IUPAC3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1N1CCCCC1C
InChIInChI=1S/C10H17N3OS/c1-3-14-10-9(11-15-12-10)13-7-5-4-6-8(13)2/h8H,3-7H2,1-2H3
InChIKeyZWIWTVFUYOXOIF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.32
Rot. Bonds3

About 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole

3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole (PubChem CID 43949596) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
PubChem CID43949596
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole
SMILESCCOc1nsnc1N1CCCCC1C
InChIInChI=1S/C10H17N3OS/c1-3-14-10-9(11-15-12-10)13-7-5-4-6-8(13)2/h8H,3-7H2,1-2H3
InChIKeyZWIWTVFUYOXOIF-UHFFFAOYSA-N
XLogP2.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpiperidin-1-yl)-4-[(4-nitrophenyl)methoxy]-1,2,5-thiadiazole
CID 43949619
1-(4-chlorophenyl)-2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanone
CID 43949594
methyl 2-[[4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazol-3-yl]oxy]propanoate
CID 43949610
3-(2-ethylpiperidin-1-yl)-4-[(4-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949654
3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949481
3-(2-ethylpiperidin-1-yl)-4-[(3-fluorophenyl)methoxy]-1,2,5-thiadiazole
CID 43949680
[(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanol
CID 97177742
3-[(2-chloro-6-fluorophenyl)methoxy]-4-(2-ethylpiperidin-1-yl)-1,2,5-thiadiazole
CID 43949668
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
CID 97177738
3-[(2S)-2-methylpiperidin-1-yl]pyrazin-2-amine
CID 124676124
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole (CID 43949596) is 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole is CCOc1nsnc1N1CCCCC1C.
What is the InChIKey of 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
The InChIKey is ZWIWTVFUYOXOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-14-10-9(11-15-12-10)13-7-5-4-6-8(13)2/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole?
3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole has a molecular weight of 227.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-methylpiperidin-1-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 43949596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).