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

C16H11ClN4O2S — CID 51204571

IUPAC2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccn1
InChIInChI=1S/C16H11ClN4O2S/c17-11-5-3-4-10(8-11)16-19-13(9-24-16)15(23)21-20-14(22)12-6-1-2-7-18-12/h1-9H,(H,20,22)(H,21,23)
InChIKeyJQVLROJQBWJYFW-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.93
Rot. Bonds3

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

2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 51204571) has the molecular formula C16H11ClN4O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID51204571
Molecular FormulaC16H11ClN4O2S
Molecular Weight358.81 g/mol
Exact Mass358.03
IUPAC Name2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccn1
InChIInChI=1S/C16H11ClN4O2S/c17-11-5-3-4-10(8-11)16-19-13(9-24-16)15(23)21-20-14(22)12-6-1-2-7-18-12/h1-9H,(H,20,22)(H,21,23)
InChIKeyJQVLROJQBWJYFW-UHFFFAOYSA-N
XLogP2.93
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 51204571) is 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccn1.
What is the InChIKey of 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is JQVLROJQBWJYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S/c17-11-5-3-4-10(8-11)16-19-13(9-24-16)15(23)21-20-14(22)12-6-1-2-7-18-12/h1-9H,(H,20,22)(H,21,23).
What are the key properties of 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 358.81 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N'-(pyridine-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 51204571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).