2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide

C16H12ClN3O3S2 — CID 2743893

IUPAC2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C16H12ClN3O3S2/c17-10-4-1-2-5-12(10)23-8-14-18-11(9-25-14)15(21)19-20-16(22)13-6-3-7-24-13/h1-7,9H,8H2,(H,19,21)(H,20,22)
InChIKeyCTEFJRHUXYECDA-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.51
Rot. Bonds5

About 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide

2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 2743893) has the molecular formula C16H12ClN3O3S2 and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID2743893
Molecular FormulaC16H12ClN3O3S2
Molecular Weight393.88 g/mol
Exact Mass393.00
IUPAC Name2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C16H12ClN3O3S2/c17-10-4-1-2-5-12(10)23-8-14-18-11(9-25-14)15(21)19-20-16(22)13-6-3-7-24-13/h1-7,9H,8H2,(H,19,21)(H,20,22)
InChIKeyCTEFJRHUXYECDA-UHFFFAOYSA-N
XLogP3.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 2743893) is 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1cccs1)c1csc(COc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is CTEFJRHUXYECDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S2/c17-10-4-1-2-5-12(10)23-8-14-18-11(9-25-14)15(21)19-20-16(22)13-6-3-7-24-13/h1-7,9H,8H2,(H,19,21)(H,20,22).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 393.88 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 2743893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).