(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C21H24N4OS — CID 72863675

IUPAC(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)c1
InChIInChI=1S/C21H24N4OS/c1-15-5-6-16(2)19(10-15)21(26)25-8-3-4-17(11-25)20-22-7-9-24(20)12-18-13-27-14-23-18/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3
InChIKeyMRRWBOMXHAXSTE-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.02
Rot. Bonds4

About (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72863675) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72863675
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)c1
InChIInChI=1S/C21H24N4OS/c1-15-5-6-16(2)19(10-15)21(26)25-8-3-4-17(11-25)20-22-7-9-24(20)12-18-13-27-14-23-18/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3
InChIKeyMRRWBOMXHAXSTE-UHFFFAOYSA-N
XLogP4.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-2-methylphenyl)-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281812
(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97282641
(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72877462
(2-methoxy-6-methylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72918394
2-(2-methylphenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278410
(3-hydroxy-2-pyridinyl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97205216
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
(2-ethylpyrazol-3-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72924941
(2-ethylpyrazol-3-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283841
1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 97278566
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710
(3R)-N-cyclohexyl-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187985

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72863675) is (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is MRRWBOMXHAXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15-5-6-16(2)19(10-15)21(26)25-8-3-4-17(11-25)20-22-7-9-24(20)12-18-13-27-14-23-18/h5-7,9-10,13-14,17H,3-4,8,11-12H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 380.52 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72863675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).