2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide

C11H9Cl2N3OS — CID 2743882

IUPAC2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3OS/c12-7-2-1-3-8(13)6(7)4-10-15-9(5-18-10)11(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyUQKHYCIPCAIJKP-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.64
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide

2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 2743882) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide
PubChem CID2743882
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3OS/c12-7-2-1-3-8(13)6(7)4-10-15-9(5-18-10)11(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyUQKHYCIPCAIJKP-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide (CID 2743882) is 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is UQKHYCIPCAIJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c12-7-2-1-3-8(13)6(7)4-10-15-9(5-18-10)11(17)16-14/h1-3,5H,4,14H2,(H,16,17).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide?
2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 302.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2743882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).