N-(phenylcarbamothioyl)prop-2-enamide

C10H10N2OS — CID 53233113

IUPACN-(phenylcarbamothioyl)prop-2-enamide
SMILESC=CC(=O)NC(=S)Nc1ccccc1
InChIInChI=1S/C10H10N2OS/c1-2-9(13)12-10(14)11-8-6-4-3-5-7-8/h2-7H,1H2,(H2,11,12,13,14)
InChIKeyYRXAGDGXUHKPRM-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.69
Rot. Bonds2

About N-(phenylcarbamothioyl)prop-2-enamide

N-(phenylcarbamothioyl)prop-2-enamide (PubChem CID 53233113) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(phenylcarbamothioyl)prop-2-enamide.

Molecular Properties

Compound NameN-(phenylcarbamothioyl)prop-2-enamide
PubChem CID53233113
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameN-(phenylcarbamothioyl)prop-2-enamide
SMILESC=CC(=O)NC(=S)Nc1ccccc1
InChIInChI=1S/C10H10N2OS/c1-2-9(13)12-10(14)11-8-6-4-3-5-7-8/h2-7H,1H2,(H2,11,12,13,14)
InChIKeyYRXAGDGXUHKPRM-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(phenylcarbamothioyl)prop-2-enamide?
The IUPAC name of N-(phenylcarbamothioyl)prop-2-enamide (CID 53233113) is N-(phenylcarbamothioyl)prop-2-enamide.
What is the SMILES notation for N-(phenylcarbamothioyl)prop-2-enamide?
The canonical SMILES for N-(phenylcarbamothioyl)prop-2-enamide is C=CC(=O)NC(=S)Nc1ccccc1.
What is the InChIKey of N-(phenylcarbamothioyl)prop-2-enamide?
The InChIKey is YRXAGDGXUHKPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-2-9(13)12-10(14)11-8-6-4-3-5-7-8/h2-7H,1H2,(H2,11,12,13,14).
What are the key properties of N-(phenylcarbamothioyl)prop-2-enamide?
N-(phenylcarbamothioyl)prop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylcarbamothioyl)prop-2-enamide is sourced from PubChem (CID 53233113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).