2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide

C14H13N3O2S — CID 24703026

IUPAC2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1ccncc1
InChIInChI=1S/C14H13N3O2S/c15-14(20)11-3-1-2-4-12(11)19-9-13(18)17-10-5-7-16-8-6-10/h1-8H,9H2,(H2,15,20)(H,16,17,18)
InChIKeyYRPDZHIALLVCIC-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.73
Rot. Bonds5

About 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide

2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide (PubChem CID 24703026) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
PubChem CID24703026
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
SMILESNC(=S)c1ccccc1OCC(=O)Nc1ccncc1
InChIInChI=1S/C14H13N3O2S/c15-14(20)11-3-1-2-4-12(11)19-9-13(18)17-10-5-7-16-8-6-10/h1-8H,9H2,(H2,15,20)(H,16,17,18)
InChIKeyYRPDZHIALLVCIC-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamothioylphenoxy)-N-pyridin-3-ylacetamide
CID 24691201
2-(2-carbamothioylphenoxy)-N-thiophen-3-ylacetamide
CID 66354146
2-(2-carbamothioylphenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 28893684
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
2-(2-ethoxyphenoxy)-N-pyridin-4-ylacetamide
CID 78802593
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-(2-carbamothioylphenoxy)-N-(thiadiazol-5-yl)acetamide
CID 114912654
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
CID 83135884
2-(2-carbamothioylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43131454
2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128
2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
CID 83015559

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide (CID 24703026) is 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide is NC(=S)c1ccccc1OCC(=O)Nc1ccncc1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide?
The InChIKey is YRPDZHIALLVCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-14(20)11-3-1-2-4-12(11)19-9-13(18)17-10-5-7-16-8-6-10/h1-8H,9H2,(H2,15,20)(H,16,17,18).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide?
2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide has a molecular weight of 287.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 24703026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).