4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole

C14H17N3S — CID 116888793

IUPAC4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(CC3CCCCN3)cs2)nc1
InChIInChI=1S/C14H17N3S/c1-3-7-15-11(5-1)9-12-10-18-14(17-12)13-6-2-4-8-16-13/h2,4,6,8,10-11,15H,1,3,5,7,9H2
InChIKeyQSQAIWAXJGSYGZ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.89
Rot. Bonds3

About 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole

4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole (PubChem CID 116888793) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole
PubChem CID116888793
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2nc(CC3CCCCN3)cs2)nc1
InChIInChI=1S/C14H17N3S/c1-3-7-15-11(5-1)9-12-10-18-14(17-12)13-6-2-4-8-16-13/h2,4,6,8,10-11,15H,1,3,5,7,9H2
InChIKeyQSQAIWAXJGSYGZ-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
CID 116888787
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]pyridine
CID 97166204
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 79702191
2-[[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]methyl]pyridine
CID 97166240

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole (CID 116888793) is 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole is c1ccc(-c2nc(CC3CCCCN3)cs2)nc1.
What is the InChIKey of 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is QSQAIWAXJGSYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-7-15-11(5-1)9-12-10-18-14(17-12)13-6-2-4-8-16-13/h2,4,6,8,10-11,15H,1,3,5,7,9H2.
What are the key properties of 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole?
4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 116888793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).