2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole

C9H15N3OS — CID 65208455

IUPAC2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole
SMILESCc1nnc(OCC2CCCNC2)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-9(14-7)13-6-8-3-2-4-10-5-8/h8,10H,2-6H2,1H3
InChIKeyYSYUQDWTIICXPK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.22
Rot. Bonds3

About 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole

2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole (PubChem CID 65208455) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole
PubChem CID65208455
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole
SMILESCc1nnc(OCC2CCCNC2)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-9(14-7)13-6-8-3-2-4-10-5-8/h8,10H,2-6H2,1H3
InChIKeyYSYUQDWTIICXPK-UHFFFAOYSA-N
XLogP1.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(2-piperidin-3-ylethoxy)-1,3,4-thiadiazole
CID 65208510
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
tert-butyl-dimethyl-[[(3S)-piperidin-3-yl]methoxy]silane
CID 150934264
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[[4-[3,5-dimethyl-4-(piperidin-3-ylmethoxy)phenyl]sulfanyl-2,6-dimethylphenoxy]methyl]piperidine
CID 142119956
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole (CID 65208455) is 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole is Cc1nnc(OCC2CCCNC2)s1.
What is the InChIKey of 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole?
The InChIKey is YSYUQDWTIICXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-12-9(14-7)13-6-8-3-2-4-10-5-8/h8,10H,2-6H2,1H3.
What are the key properties of 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole?
2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole has a molecular weight of 213.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-3-ylmethoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 65208455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).