(6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C19H21N5OS — CID 72864059

IUPAC(6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)n1
InChIInChI=1S/C19H21N5OS/c1-14-4-2-6-17(22-14)19(25)24-8-3-5-15(10-24)18-20-7-9-23(18)11-16-12-26-13-21-16/h2,4,6-7,9,12-13,15H,3,5,8,10-11H2,1H3
InChIKeyOCDFBYOSTIZXQG-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.11
Rot. Bonds4

About (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72864059) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72864059
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)n1
InChIInChI=1S/C19H21N5OS/c1-14-4-2-6-17(22-14)19(25)24-8-3-5-15(10-24)18-20-7-9-23(18)11-16-12-26-13-21-16/h2,4,6-7,9,12-13,15H,3,5,8,10-11H2,1H3
InChIKeyOCDFBYOSTIZXQG-UHFFFAOYSA-N
XLogP3.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72864059) is (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is OCDFBYOSTIZXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-14-4-2-6-17(22-14)19(25)24-8-3-5-15(10-24)18-20-7-9-23(18)11-16-12-26-13-21-16/h2,4,6-7,9,12-13,15H,3,5,8,10-11H2,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 367.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72864059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).