2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide

C15H13Cl2N3O2S — CID 1016466

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13Cl2N3O2S/c1-9-6-10(16)2-4-12(9)22-8-14(21)20-15(23)19-13-5-3-11(17)7-18-13/h2-7H,8H2,1H3,(H2,18,19,20,21,23)
InChIKeyOUXCSIKILUPUKX-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide (PubChem CID 1016466) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
PubChem CID1016466
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13Cl2N3O2S/c1-9-6-10(16)2-4-12(9)22-8-14(21)20-15(23)19-13-5-3-11(17)7-18-13/h2-7H,8H2,1H3,(H2,18,19,20,21,23)
InChIKeyOUXCSIKILUPUKX-UHFFFAOYSA-N
XLogP3.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide 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-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide (CID 1016466) is 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
The InChIKey is OUXCSIKILUPUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-9-6-10(16)2-4-12(9)22-8-14(21)20-15(23)19-13-5-3-11(17)7-18-13/h2-7H,8H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide has a molecular weight of 370.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide is sourced from PubChem (CID 1016466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).