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

C14H17N3S — CID 77081994

IUPAC2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESc1ccc(C2CCCCN2Cc2nccs2)nc1
InChIInChI=1S/C14H17N3S/c1-3-7-15-12(5-1)13-6-2-4-9-17(13)11-14-16-8-10-18-14/h1,3,5,7-8,10,13H,2,4,6,9,11H2
InChIKeyLXDNVHKPFZTWTE-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.27
Rot. Bonds3

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

2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 77081994) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID77081994
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESc1ccc(C2CCCCN2Cc2nccs2)nc1
InChIInChI=1S/C14H17N3S/c1-3-7-15-12(5-1)13-6-2-4-9-17(13)11-14-16-8-10-18-14/h1,3,5,7-8,10,13H,2,4,6,9,11H2
InChIKeyLXDNVHKPFZTWTE-UHFFFAOYSA-N
XLogP3.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118108
2-[[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124962159
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 56918216

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole (CID 77081994) is 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole is c1ccc(C2CCCCN2Cc2nccs2)nc1.
What is the InChIKey of 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is LXDNVHKPFZTWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-7-15-12(5-1)13-6-2-4-9-17(13)11-14-16-8-10-18-14/h1,3,5,7-8,10,13H,2,4,6,9,11H2.
What are the key properties of 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole?
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 77081994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).