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

C19H21N5OS — CID 72886278

IUPAC(2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)cs1
InChIInChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)24-8-3-5-16(12-24)18-21-7-9-23(18)11-15-4-2-6-20-10-15/h2,4,6-7,9-10,13,16H,3,5,8,11-12H2,1H3
InChIKeyKFHITCBVHIMYHI-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.11
Rot. Bonds4

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

(2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72886278) 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)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72886278
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name(2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)cs1
InChIInChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)24-8-3-5-16(12-24)18-21-7-9-23(18)11-15-4-2-6-20-10-15/h2,4,6-7,9-10,13,16H,3,5,8,11-12H2,1H3
InChIKeyKFHITCBVHIMYHI-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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Related Compounds

(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97197914
[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 72938457
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97131283
(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97194429
(2-propyl-1,3-thiazol-4-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72845217
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97210805
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
(1-ethyl-3-methylpyrazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205511
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72886278) is (2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCCC(c3nccn3Cc3cccnc3)C2)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KFHITCBVHIMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)24-8-3-5-16(12-24)18-21-7-9-23(18)11-15-4-2-6-20-10-15/h2,4,6-7,9-10,13,16H,3,5,8,11-12H2,1H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-4-yl)-[3-[1-(pyridin-3-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)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72886278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).