[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone

C21H23N3O2S — CID 38487794

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cs2)o1
InChIInChI=1S/C21H23N3O2S/c1-14-5-4-6-18(16(14)3)23-9-11-24(12-10-23)21(25)17-13-27-20(22-17)19-8-7-15(2)26-19/h4-8,13H,9-12H2,1-3H3
InChIKeyMMEXZUSPPMZKDJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.29
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 38487794) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID38487794
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cs2)o1
InChIInChI=1S/C21H23N3O2S/c1-14-5-4-6-18(16(14)3)23-9-11-24(12-10-23)21(25)17-13-27-20(22-17)19-8-7-15(2)26-19/h4-8,13H,9-12H2,1-3H3
InChIKeyMMEXZUSPPMZKDJ-UHFFFAOYSA-N
XLogP4.29
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 120639509
1-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168461
(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567
[4-(methylaminomethyl)piperidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119546890
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95591962
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 17217267
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 99778983
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120747391
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone (CID 38487794) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cs2)o1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is MMEXZUSPPMZKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14-5-4-6-18(16(14)3)23-9-11-24(12-10-23)21(25)17-13-27-20(22-17)19-8-7-15(2)26-19/h4-8,13H,9-12H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 381.50 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 38487794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).