N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide

C23H25N3O6S — CID 55454356

IUPACN'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C23H25N3O6S/c1-5-32-18-9-6-14(10-20(18)31-4)22(28)26-25-21(27)12-16-13-33-23(24-16)15-7-8-17(29-2)19(11-15)30-3/h6-11,13H,5,12H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyUTXOOQQDYBOHOJ-UHFFFAOYSA-N
MW471.54 g/mol
LogP3.24
Rot. Bonds9

About N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide

N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 55454356) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
PubChem CID55454356
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC NameN'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C23H25N3O6S/c1-5-32-18-9-6-14(10-20(18)31-4)22(28)26-25-21(27)12-16-13-33-23(24-16)15-7-8-17(29-2)19(11-15)30-3/h6-11,13H,5,12H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyUTXOOQQDYBOHOJ-UHFFFAOYSA-N
XLogP3.24
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
3-methoxy-4-propan-2-yloxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46656596
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
4-ethoxy-3-methoxy-N'-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 9151613
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642682
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide (CID 55454356) is N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1OC.
What is the InChIKey of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is UTXOOQQDYBOHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-5-32-18-9-6-14(10-20(18)31-4)22(28)26-25-21(27)12-16-13-33-23(24-16)15-7-8-17(29-2)19(11-15)30-3/h6-11,13H,5,12H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide?
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 471.54 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 55454356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).