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

C14H17N3S — CID 116828962

IUPAC2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2csc(CC3CCNCC3)n2)nc1
InChIInChI=1S/C14H17N3S/c1-2-6-16-12(3-1)13-10-18-14(17-13)9-11-4-7-15-8-5-11/h1-3,6,10-11,15H,4-5,7-9H2
InChIKeyHIQOMFKFQGVIOT-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.75
Rot. Bonds3

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

2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole (PubChem CID 116828962) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole
PubChem CID116828962
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2csc(CC3CCNCC3)n2)nc1
InChIInChI=1S/C14H17N3S/c1-2-6-16-12(3-1)13-10-18-14(17-13)9-11-4-7-15-8-5-11/h1-3,6,10-11,15H,4-5,7-9H2
InChIKeyHIQOMFKFQGVIOT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 126837101
N-methyl-1-piperidin-4-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 79702191
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
5-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]-3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 167893824
1-piperidin-4-yl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
CID 119882601
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
2-(azetidin-3-ylmethyl)-4-piperidin-4-yl-1,3-thiazole
CID 115042296
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115088115
N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82103423
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119882605

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole (CID 116828962) is 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole is c1ccc(-c2csc(CC3CCNCC3)n2)nc1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is HIQOMFKFQGVIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-6-16-12(3-1)13-10-18-14(17-13)9-11-4-7-15-8-5-11/h1-3,6,10-11,15H,4-5,7-9H2.
What are the key properties of 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole?
2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 116828962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).