N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide

C20H19N3O4S — CID 55438760

IUPACN'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-3-27-16-10-9-14(11-17(16)26-2)18(24)22-23-19(25)15-12-28-20(21-15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyALNZEFLGJRILQP-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.29
Rot. Bonds6

About N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide

N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide (PubChem CID 55438760) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
PubChem CID55438760
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2csc(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C20H19N3O4S/c1-3-27-16-10-9-14(11-17(16)26-2)18(24)22-23-19(25)15-12-28-20(21-15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyALNZEFLGJRILQP-UHFFFAOYSA-N
XLogP3.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159
2-(3,4-dimethoxyphenyl)-N'-[2-(4-ethoxyphenoxy)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 24503094
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
N-(4,5-dimethoxy-2-methylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205352
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
N-(2-fluorophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46165537

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide (CID 55438760) is N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2csc(-c3ccccc3)n2)cc1OC.
What is the InChIKey of N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
The InChIKey is ALNZEFLGJRILQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-3-27-16-10-9-14(11-17(16)26-2)18(24)22-23-19(25)15-12-28-20(21-15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide?
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide has a molecular weight of 397.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55438760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).