N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide

C20H26N4O3S — CID 91634666

IUPACN-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
SMILESCCN1CCN(C(=O)Cn2cc(C)s/c2=N/C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C20H26N4O3S/c1-4-22-8-10-23(11-9-22)18(25)14-24-13-15(2)28-20(24)21-19(26)16-6-5-7-17(12-16)27-3/h5-7,12-13H,4,8-11,14H2,1-3H3/b21-20+
InChIKeyJATKCYBXUWTGPR-QZQOTICOSA-N
MW402.52 g/mol
LogP1.77
Rot. Bonds5

About N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide

N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide (PubChem CID 91634666) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
PubChem CID91634666
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
SMILESCCN1CCN(C(=O)Cn2cc(C)s/c2=N/C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C20H26N4O3S/c1-4-22-8-10-23(11-9-22)18(25)14-24-13-15(2)28-20(24)21-19(26)16-6-5-7-17(12-16)27-3/h5-7,12-13H,4,8-11,14H2,1-3H3/b21-20+
InChIKeyJATKCYBXUWTGPR-QZQOTICOSA-N
XLogP1.77
TPSA67.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 40885171
3-methoxy-N-[5-methyl-3-[1-oxo-1-(propan-2-ylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide
CID 46137162
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
ethyl 2-[2-(3-methoxybenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 40697718
3,4-dimethoxy-N-[5-methyl-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067347
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51926336
2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 70756985
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
CID 109053712
ethyl 2-[2-(3-methoxybenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
CID 4671221
[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 23905789
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
The IUPAC name of N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide (CID 91634666) is N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide.
What is the SMILES notation for N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
The canonical SMILES for N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide is CCN1CCN(C(=O)Cn2cc(C)s/c2=N/C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
The InChIKey is JATKCYBXUWTGPR-QZQOTICOSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-4-22-8-10-23(11-9-22)18(25)14-24-13-15(2)28-20(24)21-19(26)16-6-5-7-17(12-16)27-3/h5-7,12-13H,4,8-11,14H2,1-3H3/b21-20+.
What are the key properties of N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide?
N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide has a molecular weight of 402.52 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide is sourced from PubChem (CID 91634666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).