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

C14H13N3OS — CID 63589271

IUPAC2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C14H13N3OS/c15-14(19)11-3-1-10(2-4-11)9-13(18)17-12-5-7-16-8-6-12/h1-8H,9H2,(H2,15,19)(H,16,17,18)
InChIKeyIUFUMWKHRGGXME-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.90
Rot. Bonds4

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

2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide (PubChem CID 63589271) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide
PubChem CID63589271
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C14H13N3OS/c15-14(19)11-3-1-10(2-4-11)9-13(18)17-12-5-7-16-8-6-12/h1-8H,9H2,(H2,15,19)(H,16,17,18)
InChIKeyIUFUMWKHRGGXME-UHFFFAOYSA-N
XLogP1.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N,2-dipyridin-4-ylacetamide
CID 110468100
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
2-(4-carbamothioylphenyl)-N-pyridazin-3-ylacetamide
CID 116787129
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
2-(4-carbamothioylphenyl)-N-(3-methylsulfanylphenyl)acetamide
CID 63589779
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-(4-carbamothioylphenyl)-2-(3-methylphenyl)acetamide
CID 62387543
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide (CID 63589271) is 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide is NC(=S)c1ccc(CC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide?
The InChIKey is IUFUMWKHRGGXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-14(19)11-3-1-10(2-4-11)9-13(18)17-12-5-7-16-8-6-12/h1-8H,9H2,(H2,15,19)(H,16,17,18).
What are the key properties of 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide?
2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide has a molecular weight of 271.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 63589271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).