N-(4-carbamothioyl-3-fluorophenyl)formamide

C8H7FN2OS — CID 130729707

IUPACN-(4-carbamothioyl-3-fluorophenyl)formamide
SMILESNC(=S)c1ccc(NC=O)cc1F
InChIInChI=1S/C8H7FN2OS/c9-7-3-5(11-4-12)1-2-6(7)8(10)13/h1-4H,(H2,10,13)(H,11,12)
InChIKeyBEPMVFZCOKRFQS-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.03
Rot. Bonds3

About N-(4-carbamothioyl-3-fluorophenyl)formamide

N-(4-carbamothioyl-3-fluorophenyl)formamide (PubChem CID 130729707) has the molecular formula C8H7FN2OS and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(4-carbamothioyl-3-fluorophenyl)formamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-3-fluorophenyl)formamide
PubChem CID130729707
Molecular FormulaC8H7FN2OS
Molecular Weight198.22 g/mol
Exact Mass198.03
IUPAC NameN-(4-carbamothioyl-3-fluorophenyl)formamide
SMILESNC(=S)c1ccc(NC=O)cc1F
InChIInChI=1S/C8H7FN2OS/c9-7-3-5(11-4-12)1-2-6(7)8(10)13/h1-4H,(H2,10,13)(H,11,12)
InChIKeyBEPMVFZCOKRFQS-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-carbamothioyl-3-fluorophenyl)formamide 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

4-(3,4-difluoroanilino)-2-fluorobenzenecarbothioamide
CID 115367816
4-amino-2-fluorobenzenecarbothioamide
CID 91875250
2,4-difluorobenzenecarbothioamide
CID 2781868
4-(butan-2-ylamino)-2-fluorobenzenecarbothioamide
CID 115367722
3-(4-carbamothioyl-3-fluoroanilino)-N,N-dimethylpropanamide
CID 115368202
4-(5-bromo-2,4-difluoroanilino)-2-fluorobenzenecarbothioamide
CID 102853938
4-(2,6-difluoro-3-methylanilino)-2-fluorobenzenecarbothioamide
CID 82818840
2-fluoro-4-(hexan-3-ylamino)benzenecarbothioamide
CID 113295888
4-(2-chloro-4,6-difluoroanilino)-2-fluorobenzenecarbothioamide
CID 83087566
2-fluoro-4-[(4-methylcyclohexyl)amino]benzenecarbothioamide
CID 113295793
2-fluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenecarbothioamide
CID 115367994
2-fluoro-4-(4-methoxy-3-methylanilino)benzenecarbothioamide
CID 115368090

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-3-fluorophenyl)formamide?
The IUPAC name of N-(4-carbamothioyl-3-fluorophenyl)formamide (CID 130729707) is N-(4-carbamothioyl-3-fluorophenyl)formamide.
What is the SMILES notation for N-(4-carbamothioyl-3-fluorophenyl)formamide?
The canonical SMILES for N-(4-carbamothioyl-3-fluorophenyl)formamide is NC(=S)c1ccc(NC=O)cc1F.
What is the InChIKey of N-(4-carbamothioyl-3-fluorophenyl)formamide?
The InChIKey is BEPMVFZCOKRFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2OS/c9-7-3-5(11-4-12)1-2-6(7)8(10)13/h1-4H,(H2,10,13)(H,11,12).
What are the key properties of N-(4-carbamothioyl-3-fluorophenyl)formamide?
N-(4-carbamothioyl-3-fluorophenyl)formamide has a molecular weight of 198.22 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-3-fluorophenyl)formamide is sourced from PubChem (CID 130729707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).