3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole

C16H27N3O2S — CID 133485848

IUPAC3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2CCC(OCC3CCCO3)CC2)n1
InChIInChI=1S/C16H27N3O2S/c1-12(2)10-15-17-16(22-18-15)19-7-5-13(6-8-19)21-11-14-4-3-9-20-14/h12-14H,3-11H2,1-2H3
InChIKeyUGDBQADZTQLQEF-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.90
Rot. Bonds6

About 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole

3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133485848) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID133485848
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2CCC(OCC3CCCO3)CC2)n1
InChIInChI=1S/C16H27N3O2S/c1-12(2)10-15-17-16(22-18-15)19-7-5-13(6-8-19)21-11-14-4-3-9-20-14/h12-14H,3-11H2,1-2H3
InChIKeyUGDBQADZTQLQEF-UHFFFAOYSA-N
XLogP2.90
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 126783869
N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
CID 133485658
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133491255
2-cyclohexyloxy-6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyrazine
CID 133485842
2-[(4-chlorophenyl)methyl]-5-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 133494277
(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 124508353
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133419117
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124623738
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
CID 133485154
3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole
CID 133422180
5-[4-(2-chloroethoxy)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 82701825
4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
CID 154844888

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole (CID 133485848) is 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole is CC(C)Cc1nsc(N2CCC(OCC3CCCO3)CC2)n1.
What is the InChIKey of 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is UGDBQADZTQLQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12(2)10-15-17-16(22-18-15)19-7-5-13(6-8-19)21-11-14-4-3-9-20-14/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole?
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 325.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133485848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).