2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

C15H19N3S — CID 127246448

IUPAC2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cncc(CC2CCCN(Cc3nccs3)C2)c1
InChIInChI=1S/C15H19N3S/c1-3-13(10-16-5-1)9-14-4-2-7-18(11-14)12-15-17-6-8-19-15/h1,3,5-6,8,10,14H,2,4,7,9,11-12H2
InChIKeyFDIMCQYNZUPDST-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.99
Rot. Bonds4

About 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 127246448) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID127246448
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESc1cncc(CC2CCCN(Cc3nccs3)C2)c1
InChIInChI=1S/C15H19N3S/c1-3-13(10-16-5-1)9-14-4-2-7-18(11-14)12-15-17-6-8-19-15/h1,3,5-6,8,10,14H,2,4,7,9,11-12H2
InChIKeyFDIMCQYNZUPDST-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
(5aR,9aS)-4-(pyridin-3-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97403395
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
5-fluoro-2-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 124957202
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
5,7-dimethyl-3-[[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 124973365
2-[[(3S)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124942284
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
2-(2-pyridin-3-ylethyl)-1,3-thiazole
CID 141425533
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 127246448) is 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is c1cncc(CC2CCCN(Cc3nccs3)C2)c1.
What is the InChIKey of 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FDIMCQYNZUPDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-13(10-16-5-1)9-14-4-2-7-18(11-14)12-15-17-6-8-19-15/h1,3,5-6,8,10,14H,2,4,7,9,11-12H2.
What are the key properties of 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 273.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 127246448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).