N-[(2-fluorophenyl)carbamothioyl]acetamide

C9H9FN2OS — CID 2235536

IUPACN-[(2-fluorophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C9H9FN2OS/c1-6(13)11-9(14)12-8-5-3-2-4-7(8)10/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyHFPVUNNWZNDMQN-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.66
Rot. Bonds1

About N-[(2-fluorophenyl)carbamothioyl]acetamide

N-[(2-fluorophenyl)carbamothioyl]acetamide (PubChem CID 2235536) has the molecular formula C9H9FN2OS and a molecular weight of 212.25 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamothioyl]acetamide
PubChem CID2235536
Molecular FormulaC9H9FN2OS
Molecular Weight212.25 g/mol
Exact Mass212.04
IUPAC NameN-[(2-fluorophenyl)carbamothioyl]acetamide
SMILESCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C9H9FN2OS/c1-6(13)11-9(14)12-8-5-3-2-4-7(8)10/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyHFPVUNNWZNDMQN-UHFFFAOYSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluorophenyl)carbamothioyl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)carbamothioyl]acetamide (CID 2235536) is N-[(2-fluorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamothioyl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamothioyl]acetamide is CC(=O)NC(=S)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamothioyl]acetamide?
The InChIKey is HFPVUNNWZNDMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2OS/c1-6(13)11-9(14)12-8-5-3-2-4-7(8)10/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of N-[(2-fluorophenyl)carbamothioyl]acetamide?
N-[(2-fluorophenyl)carbamothioyl]acetamide has a molecular weight of 212.25 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 2235536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).