3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide

C21H21N3O5S — CID 34253937

IUPAC3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-13-22-16(12-30-13)11-29-17-7-4-14(5-8-17)20(25)23-24-21(26)15-6-9-18(27-2)19(10-15)28-3/h4-10,12H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAMSVAINGRQZFBM-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.12
Rot. Bonds7

About 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide

3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide (PubChem CID 34253937) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
PubChem CID34253937
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C21H21N3O5S/c1-13-22-16(12-30-13)11-29-17-7-4-14(5-8-17)20(25)23-24-21(26)15-6-9-18(27-2)19(10-15)28-3/h4-10,12H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyAMSVAINGRQZFBM-UHFFFAOYSA-N
XLogP3.12
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.12
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-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-cyclopropyl-3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 35558311
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46655596
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzohydrazide
CID 9323740
4-bromo-1-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]pyrrole-2-carbohydrazide
CID 24533009
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346
N-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043
N-(5-tert-butyl-2-hydroxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 29265468

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide (CID 34253937) is 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc(OCc3csc(C)n3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide?
The InChIKey is AMSVAINGRQZFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-13-22-16(12-30-13)11-29-17-7-4-14(5-8-17)20(25)23-24-21(26)15-6-9-18(27-2)19(10-15)28-3/h4-10,12H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide?
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide has a molecular weight of 427.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide is sourced from PubChem (CID 34253937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).