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

C19H21N5OS — CID 72887015

IUPAC(2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)cs1
InChIInChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)23-9-4-16(5-10-23)18-21-8-11-24(18)12-15-2-6-20-7-3-15/h2-3,6-8,11,13,16H,4-5,9-10,12H2,1H3
InChIKeyKONWNEVZBOOILF-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.11
Rot. Bonds4

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

(2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72887015) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72887015
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)cs1
InChIInChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)23-9-4-16(5-10-23)18-21-8-11-24(18)12-15-2-6-20-7-3-15/h2-3,6-8,11,13,16H,4-5,9-10,12H2,1H3
InChIKeyKONWNEVZBOOILF-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 (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72887015) is (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KONWNEVZBOOILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)23-9-4-16(5-10-23)18-21-8-11-24(18)12-15-2-6-20-7-3-15/h2-3,6-8,11,13,16H,4-5,9-10,12H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-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 (2-methyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72887015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).