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

C23H25N3O2S — CID 55667282

IUPAC[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCN(CC=Cc4ccccc4)CC3)s2)o1
InChIInChI=1S/C23H25N3O2S/c1-17-10-11-20(28-17)22-24-18(2)21(29-22)23(27)26-15-13-25(14-16-26)12-6-9-19-7-4-3-5-8-19/h3-11H,12-16H2,1-2H3
InChIKeyNDBCWZXIFYZHCQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.49
Rot. Bonds5

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

[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 55667282) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID55667282
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(C)c(C(=O)N3CCN(CC=Cc4ccccc4)CC3)s2)o1
InChIInChI=1S/C23H25N3O2S/c1-17-10-11-20(28-17)22-24-18(2)21(29-22)23(27)26-15-13-25(14-16-26)12-6-9-19-7-4-3-5-8-19/h3-11H,12-16H2,1-2H3
InChIKeyNDBCWZXIFYZHCQ-UHFFFAOYSA-N
XLogP4.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119375760
N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
CID 78870020
(3-methylthiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 51143710
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
(2-methyl-1,3-oxazol-5-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110702218
ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
CID 38414533
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 119624366
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 146074977
(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99633825
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120742338

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 55667282) is [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is Cc1ccc(-c2nc(C)c(C(=O)N3CCN(CC=Cc4ccccc4)CC3)s2)o1.
What is the InChIKey of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is NDBCWZXIFYZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-10-11-20(28-17)22-24-18(2)21(29-22)23(27)26-15-13-25(14-16-26)12-6-9-19-7-4-3-5-8-19/h3-11H,12-16H2,1-2H3.
What are the key properties of [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 407.54 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55667282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).