4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C24H28N4O2S — CID 53307233

IUPAC4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(CN2CCN(C)CC2)c1
InChIInChI=1S/C24H28N4O2S/c1-17-25-23(16-31-17)18-5-4-6-20(13-18)26-24(29)22-8-7-21(30-3)14-19(22)15-28-11-9-27(2)10-12-28/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,29)
InChIKeyGZHLCVWCIWGMAC-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.13
Rot. Bonds6

About 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 53307233) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID53307233
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(CN2CCN(C)CC2)c1
InChIInChI=1S/C24H28N4O2S/c1-17-25-23(16-31-17)18-5-4-6-20(13-18)26-24(29)22-8-7-21(30-3)14-19(22)15-28-11-9-27(2)10-12-28/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,29)
InChIKeyGZHLCVWCIWGMAC-UHFFFAOYSA-N
XLogP4.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
N-[3-chloro-4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 53308305
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
4-(2-methoxyethyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperazine-1-carboxamide
CID 72933089
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26648669
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]tetrazole-5-carboxamide
CID 71791407
2-(5-methoxy-1H-indol-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 78873771
2-ethyl-N-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxybenzamide;N-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2,4-dimethoxybenzamide;N-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methoxybenzamide;N-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-fluoro-4-methylsulfonylbenzamide;N-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-methylbenzamide;N-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-2-methyl-4-methylsulfonylbenzamide
CID 159419781
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 90503926
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 53307233) is 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(CN2CCN(C)CC2)c1.
What is the InChIKey of 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is GZHLCVWCIWGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-17-25-23(16-31-17)18-5-4-6-20(13-18)26-24(29)22-8-7-21(30-3)14-19(22)15-28-11-9-27(2)10-12-28/h4-8,13-14,16H,9-12,15H2,1-3H3,(H,26,29).
What are the key properties of 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methylpiperazin-1-yl)methyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 53307233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).