5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

C19H26N4OS — CID 56914538

IUPAC5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESc1ccc(COC2CCCN(Cc3cnc(N4CCCC4)s3)C2)nc1
InChIInChI=1S/C19H26N4OS/c1-2-8-20-16(6-1)15-24-17-7-5-9-22(13-17)14-18-12-21-19(25-18)23-10-3-4-11-23/h1-2,6,8,12,17H,3-5,7,9-11,13-15H2
InChIKeyBSBJNJWJEFKXKC-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.32
Rot. Bonds6

About 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole

5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 56914538) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID56914538
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
SMILESc1ccc(COC2CCCN(Cc3cnc(N4CCCC4)s3)C2)nc1
InChIInChI=1S/C19H26N4OS/c1-2-8-20-16(6-1)15-24-17-7-5-9-22(13-17)14-18-12-21-19(25-18)23-10-3-4-11-23/h1-2,6,8,12,17H,3-5,7,9-11,13-15H2
InChIKeyBSBJNJWJEFKXKC-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
formic acid;5-[[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 171712121
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 99936999
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 146039643
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157017052
2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56904179

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole (CID 56914538) is 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is c1ccc(COC2CCCN(Cc3cnc(N4CCCC4)s3)C2)nc1.
What is the InChIKey of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is BSBJNJWJEFKXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-8-20-16(6-1)15-24-17-7-5-9-22(13-17)14-18-12-21-19(25-18)23-10-3-4-11-23/h1-2,6,8,12,17H,3-5,7,9-11,13-15H2.
What are the key properties of 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole?
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 358.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 56914538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).