4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide

C19H18N4O4S — CID 9078380

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
SMILESCc1nc(COc2ccc(C(=O)NNC(=O)Cn3ccccc3=O)cc2)cs1
InChIInChI=1S/C19H18N4O4S/c1-13-20-15(12-28-13)11-27-16-7-5-14(6-8-16)19(26)22-21-17(24)10-23-9-3-2-4-18(23)25/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,26)
InChIKeyNGEQLQDMFMBONM-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.65
Rot. Bonds6

About 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide (PubChem CID 9078380) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
PubChem CID9078380
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
SMILESCc1nc(COc2ccc(C(=O)NNC(=O)Cn3ccccc3=O)cc2)cs1
InChIInChI=1S/C19H18N4O4S/c1-13-20-15(12-28-13)11-27-16-7-5-14(6-8-16)19(26)22-21-17(24)10-23-9-3-2-4-18(23)25/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,26)
InChIKeyNGEQLQDMFMBONM-UHFFFAOYSA-N
XLogP1.65
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide (CID 9078380) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide is Cc1nc(COc2ccc(C(=O)NNC(=O)Cn3ccccc3=O)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
The InChIKey is NGEQLQDMFMBONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13-20-15(12-28-13)11-27-16-7-5-14(6-8-16)19(26)22-21-17(24)10-23-9-3-2-4-18(23)25/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide has a molecular weight of 398.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide is sourced from PubChem (CID 9078380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).