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

C18H16N4O4S — CID 26273315

IUPAC2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)cc1OC
InChIInChI=1S/C18H16N4O4S/c1-25-14-7-6-11(9-15(14)26-2)18-20-13(10-27-18)17(24)22-21-16(23)12-5-3-4-8-19-12/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyXPMSQBUCGTWOJT-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.30
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 26273315) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID26273315
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESCOc1ccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)cc1OC
InChIInChI=1S/C18H16N4O4S/c1-25-14-7-6-11(9-15(14)26-2)18-20-13(10-27-18)17(24)22-21-16(23)12-5-3-4-8-19-12/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyXPMSQBUCGTWOJT-UHFFFAOYSA-N
XLogP2.30
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.30
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 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 26273315) is 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is COc1ccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is XPMSQBUCGTWOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c1-25-14-7-6-11(9-15(14)26-2)18-20-13(10-27-18)17(24)22-21-16(23)12-5-3-4-8-19-12/h3-10H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 384.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 26273315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).