[3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C23H25N3O2S — CID 46397364

IUPAC[3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccc(-c4nc(C)c(C)s4)c3)CC2)c1
InChIInChI=1S/C23H25N3O2S/c1-16-17(2)29-22(24-16)18-6-4-7-19(14-18)23(27)26-12-10-25(11-13-26)20-8-5-9-21(15-20)28-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyOYOULHRLANNCGO-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.40
Rot. Bonds4

About [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 46397364) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID46397364
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name[3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccc(-c4nc(C)c(C)s4)c3)CC2)c1
InChIInChI=1S/C23H25N3O2S/c1-16-17(2)29-22(24-16)18-6-4-7-19(14-18)23(27)26-12-10-25(11-13-26)20-8-5-9-21(15-20)28-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyOYOULHRLANNCGO-UHFFFAOYSA-N
XLogP4.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)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

FR-122047
CID 196841
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
N-(3-methoxyphenyl)-N-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 60196908
N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
CID 2533231
2-{1-[4-(2-Methylpropoxy)benzoyl]piperidin-4-YL}-1,3-benzothiazole
CID 9218734
N-butyl-7-methoxy-N-methyl-2-thieno[2,3-b]quinolinecarboxamide
CID 9550196
(4-Ethylpiperazin-1-yl)-(7-methoxythieno[2,3-b]quinolin-2-yl)methanone
CID 9551194
[4-(3,5-Dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone
CID 72737407
[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184040
(E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 10321494
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylbenzamide
CID 16314357
2-[1-(3-Methoxybenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 7016179

Frequently Asked Questions

What is the IUPAC name of [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 46397364) is [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cccc(-c4nc(C)c(C)s4)c3)CC2)c1.
What is the InChIKey of [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OYOULHRLANNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-17(2)29-22(24-16)18-6-4-7-19(14-18)23(27)26-12-10-25(11-13-26)20-8-5-9-21(15-20)28-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 407.54 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46397364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).