furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone

C20H19N3O3S — CID 34470311

IUPACfuran-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-4-6-15(7-5-14)18-21-16(13-27-18)19(24)22-8-10-23(11-9-22)20(25)17-3-2-12-26-17/h2-7,12-13H,8-11H2,1H3
InChIKeyJICIKBYUGMEENH-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.31
Rot. Bonds3

About furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 34470311) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
PubChem CID34470311
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Namefuran-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-4-6-15(7-5-14)18-21-16(13-27-18)19(24)22-8-10-23(11-9-22)20(25)17-3-2-12-26-17/h2-7,12-13H,8-11H2,1H3
InChIKeyJICIKBYUGMEENH-UHFFFAOYSA-N
XLogP3.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]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

furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38909287
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976613
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080929
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylanilino)pyrimidin-4-yl]methanone
CID 109310523
(3,4-dimethoxyphenyl)-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 33002448
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 36708538
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
[4-(3-methylphenyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 27049058

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone (CID 34470311) is furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone is Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)cc1.
What is the InChIKey of furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is JICIKBYUGMEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-4-6-15(7-5-14)18-21-16(13-27-18)19(24)22-8-10-23(11-9-22)20(25)17-3-2-12-26-17/h2-7,12-13H,8-11H2,1H3.
What are the key properties of furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 381.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 34470311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).