2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide

C17H14N4O3S — CID 27662197

IUPAC2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)cc1
InChIInChI=1S/C17H14N4O3S/c1-24-12-7-5-11(6-8-12)17-19-14(10-25-17)16(23)21-20-15(22)13-4-2-3-9-18-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyOXEAWFDPMOXIFR-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.29
Rot. Bonds4

About 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide

2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 27662197) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID27662197
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)cc1
InChIInChI=1S/C17H14N4O3S/c1-24-12-7-5-11(6-8-12)17-19-14(10-25-17)16(23)21-20-15(22)13-4-2-3-9-18-13/h2-10H,1H3,(H,20,22)(H,21,23)
InChIKeyOXEAWFDPMOXIFR-UHFFFAOYSA-N
XLogP2.29
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 27662197) is 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is COc1ccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is OXEAWFDPMOXIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-24-12-7-5-11(6-8-12)17-19-14(10-25-17)16(23)21-20-15(22)13-4-2-3-9-18-13/h2-10H,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 354.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 27662197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).