N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide

C23H25N3O5S — CID 25443390

IUPACN'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2csc(COc3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C23H25N3O5S/c1-4-11-30-19-10-7-16(12-20(19)29-3)22(27)25-26-23(28)18-14-32-21(24-18)13-31-17-8-5-15(2)6-9-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUIKWRPDDEVMSNZ-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.90
Rot. Bonds9

About N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide

N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 25443390) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
PubChem CID25443390
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC NameN'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2csc(COc3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C23H25N3O5S/c1-4-11-30-19-10-7-16(12-20(19)29-3)22(27)25-26-23(28)18-14-32-21(24-18)13-31-17-8-5-15(2)6-9-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUIKWRPDDEVMSNZ-UHFFFAOYSA-N
XLogP3.90
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N'-(3-methoxy-4-propoxybenzoyl)quinoline-2-carbohydrazide
CID 26621825
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105822
N-benzyl-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003204
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
N-[2-[(3-fluorobenzoyl)amino]ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46105843
N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 24541645
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879958
N-[4-[(2,4-dimethoxyphenyl)carbamoylamino]cyclohexyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46171690
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide (CID 25443390) is N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2csc(COc3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is UIKWRPDDEVMSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-4-11-30-19-10-7-16(12-20(19)29-3)22(27)25-26-23(28)18-14-32-21(24-18)13-31-17-8-5-15(2)6-9-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 455.54 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propoxybenzoyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 25443390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).