2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide

C11H9Cl2N3O2S — CID 2743941

IUPAC2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3O2S/c12-6-1-7(13)3-8(2-6)18-4-10-15-9(5-19-10)11(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyLZVJZCRYIHREAG-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.63
Rot. Bonds4

About 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide

2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 2743941) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
PubChem CID2743941
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC Name2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C11H9Cl2N3O2S/c12-6-1-7(13)3-8(2-6)18-4-10-15-9(5-19-10)11(17)16-14/h1-3,5H,4,14H2,(H,16,17)
InChIKeyLZVJZCRYIHREAG-UHFFFAOYSA-N
XLogP2.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

1-{2-[(3,5-Dichlorophenoxy)methyl]-1,3-thiazol-4-yl}ethan-1-one
CID 2744855
2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazole-4-carboxamide (4b)
CID 127054050
2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 2743893
Trid NV2909
CID 156010367
2-[(3,5-dichlorophenoxy)methyl]-N'-(3,4-dichlorophenyl)sulfonyl-1,3-thiazole-4-carbohydrazide
CID 2743942
2-[(2-Chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 2743890
2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712424
1-{2-[(3-Chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl}piperidine
CID 24712425
2-[(4-chlorophenoxy)methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 24712438
2-[(4-Chlorophenoxy)methyl]-N-(propan-2-YL)-1,3-thiazole-4-carboxamide
CID 24712607
2-[(3-chlorophenoxy)methyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 24712639
2-[(3-Chlorophenoxy)methyl]-4-(pyrrolidine-1-carbonyl)-1,3-thiazole
CID 24712809

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide (CID 2743941) is 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is LZVJZCRYIHREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-6-1-7(13)3-8(2-6)18-4-10-15-9(5-19-10)11(17)16-14/h1-3,5H,4,14H2,(H,16,17).
What are the key properties of 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide?
2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 318.19 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2743941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).