2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole

C15H21N3S — CID 54127129

IUPAC2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole
SMILESC1=CSN(CCc2cccc(N3CCCCC3)n2)C1
InChIInChI=1S/C15H21N3S/c1-2-9-17(10-3-1)15-7-4-6-14(16-15)8-12-18-11-5-13-19-18/h4-7,13H,1-3,8-12H2
InChIKeyNRTJHCOHOHKBEZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole

2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole (PubChem CID 54127129) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole.

Molecular Properties

Compound Name2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole
PubChem CID54127129
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole
SMILESC1=CSN(CCc2cccc(N3CCCCC3)n2)C1
InChIInChI=1S/C15H21N3S/c1-2-9-17(10-3-1)15-7-4-6-14(16-15)8-12-18-11-5-13-19-18/h4-7,13H,1-3,8-12H2
InChIKeyNRTJHCOHOHKBEZ-UHFFFAOYSA-N
XLogP3.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(azocan-1-yl)-2-pyridinyl]methanol
CID 62253750
2-(2-methylprop-2-enyl)-6-piperidin-1-ylpyridine
CID 169136984
2-methyl-N-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]propan-2-amine
CID 155163774
2-(azidomethyl)-6-piperidin-1-ylpyridine
CID 135272856
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
CID 62300509
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
(6-thiomorpholin-4-yl-2-pyridinyl)methanamine
CID 62300518
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 171334066
6-(azepan-1-yl)-N-ethylpyridin-2-amine
CID 80764538
3-(azocan-1-yl)-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 46988084
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 171334065
2-[[(3R)-piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridine
CID 95846194

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole?
The IUPAC name of 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole (CID 54127129) is 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole.
What is the SMILES notation for 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole?
The canonical SMILES for 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole is C1=CSN(CCc2cccc(N3CCCCC3)n2)C1.
What is the InChIKey of 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole?
The InChIKey is NRTJHCOHOHKBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-9-17(10-3-1)15-7-4-6-14(16-15)8-12-18-11-5-13-19-18/h4-7,13H,1-3,8-12H2.
What are the key properties of 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole?
2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole has a molecular weight of 275.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-piperidin-1-yl-2-pyridinyl)ethyl]-3H-1,2-thiazole is sourced from PubChem (CID 54127129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).