N-(2-carbamothioylphenyl)-3-hydroxypropanamide

C10H12N2O2S — CID 43165081

IUPACN-(2-carbamothioylphenyl)-3-hydroxypropanamide
SMILESNC(=S)c1ccccc1NC(=O)CCO
InChIInChI=1S/C10H12N2O2S/c11-10(15)7-3-1-2-4-8(7)12-9(14)5-6-13/h1-4,13H,5-6H2,(H2,11,15)(H,12,14)
InChIKeyHTKOYZWVAWFJPG-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.64
Rot. Bonds4

About N-(2-carbamothioylphenyl)-3-hydroxypropanamide

N-(2-carbamothioylphenyl)-3-hydroxypropanamide (PubChem CID 43165081) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-hydroxypropanamide
PubChem CID43165081
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(2-carbamothioylphenyl)-3-hydroxypropanamide
SMILESNC(=S)c1ccccc1NC(=O)CCO
InChIInChI=1S/C10H12N2O2S/c11-10(15)7-3-1-2-4-8(7)12-9(14)5-6-13/h1-4,13H,5-6H2,(H2,11,15)(H,12,14)
InChIKeyHTKOYZWVAWFJPG-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-hydroxypropanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-hydroxypropanamide (CID 43165081) is N-(2-carbamothioylphenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-hydroxypropanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-hydroxypropanamide is NC(=S)c1ccccc1NC(=O)CCO.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-hydroxypropanamide?
The InChIKey is HTKOYZWVAWFJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-10(15)7-3-1-2-4-8(7)12-9(14)5-6-13/h1-4,13H,5-6H2,(H2,11,15)(H,12,14).
What are the key properties of N-(2-carbamothioylphenyl)-3-hydroxypropanamide?
N-(2-carbamothioylphenyl)-3-hydroxypropanamide has a molecular weight of 224.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-3-hydroxypropanamide is sourced from PubChem (CID 43165081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).