[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C21H29N3O4S — CID 59338359

IUPAC[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)cc(OC)c1OC
InChIInChI=1S/C21H29N3O4S/c1-13(2)23-7-9-24(10-8-23)21(25)19-14(3)22-20(29-19)15-11-16(26-4)18(28-6)17(12-15)27-5/h11-13H,7-10H2,1-6H3
InChIKeyCSQKNTRAICBENJ-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.31
Rot. Bonds6

About [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 59338359) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID59338359
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCOc1cc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)cc(OC)c1OC
InChIInChI=1S/C21H29N3O4S/c1-13(2)23-7-9-24(10-8-23)21(25)19-14(3)22-20(29-19)15-11-16(26-4)18(28-6)17(12-15)27-5/h11-13H,7-10H2,1-6H3
InChIKeyCSQKNTRAICBENJ-UHFFFAOYSA-N
XLogP3.31
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-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

N-(2-(2-(3-fluorophenyl)-4-methylthiazol-5-yl)ethyl)-3,4,5-trimethoxybenzamide
CID 16028706
2-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 91800569
5-Thiazolecarboxamide, N,4-dimethyl-2-(3,4,5-trimethoxyphenyl)-
CID 3068067
5-Thiazolecarboxamide, 4-methyl-N-propyl-2-(3,4,5-trimethoxyphenyl)-
CID 3068068
5-Thiazolecarboxamide, 4-methyl-2-(3,4-dimethoxyphenyl)-
CID 3068069
5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-N,4-dimethyl-
CID 3068070
5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-
CID 3068071
N-{2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-3,4,5-trimethoxybenzamide
CID 16031926
4-[(2,4-Dimethyl(1,3-thiazol-5-yl))carbonyl]-1-[2-(dimethylamino)ethyl]-3-hydr oxy-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-2-one
CID 661210
(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 162669057
3,4,5-trimethoxy-N-{2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl}benzamide
CID 16031910
4-(3,4-dimethoxyphenyl)-N,N-diethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 76309367

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 59338359) is [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is COc1cc(-c2nc(C)c(C(=O)N3CCN(C(C)C)CC3)s2)cc(OC)c1OC.
What is the InChIKey of [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is CSQKNTRAICBENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-13(2)23-7-9-24(10-8-23)21(25)19-14(3)22-20(29-19)15-11-16(26-4)18(28-6)17(12-15)27-5/h11-13H,7-10H2,1-6H3.
What are the key properties of [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 419.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 59338359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).