2-(4-carbamothioyl-2,3-difluoroanilino)acetamide

C9H9F2N3OS — CID 107934350

IUPAC2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
SMILESNC(=O)CNc1ccc(C(N)=S)c(F)c1F
InChIInChI=1S/C9H9F2N3OS/c10-7-4(9(13)16)1-2-5(8(7)11)14-3-6(12)15/h1-2,14H,3H2,(H2,12,15)(H2,13,16)
InChIKeyUCDMFGIWBGYLIF-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.50
Rot. Bonds4

About 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide

2-(4-carbamothioyl-2,3-difluoroanilino)acetamide (PubChem CID 107934350) has the molecular formula C9H9F2N3OS and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
PubChem CID107934350
Molecular FormulaC9H9F2N3OS
Molecular Weight245.25 g/mol
Exact Mass245.04
IUPAC Name2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
SMILESNC(=O)CNc1ccc(C(N)=S)c(F)c1F
InChIInChI=1S/C9H9F2N3OS/c10-7-4(9(13)16)1-2-5(8(7)11)14-3-6(12)15/h1-2,14H,3H2,(H2,12,15)(H2,13,16)
InChIKeyUCDMFGIWBGYLIF-UHFFFAOYSA-N
XLogP0.50
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide 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-tert-butyl-2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
CID 107935158
5-(4-carbamothioyl-2,3-difluoroanilino)pentanamide
CID 106237310
methyl 3-(4-carbamothioyl-2,3-difluoroanilino)propanoate
CID 114017826
2-(2-carbamothioyl-5-chloroanilino)acetamide
CID 63083530
2-(4-carbamothioyl-2,3-difluoroanilino)-2-methylpropanamide
CID 107934852
3-(4-carbamothioyl-2,3-difluoroanilino)-N-propylpropanamide
CID 107934848
2,3-difluoro-4-[2-(methanesulfonamido)ethylamino]benzenecarbothioamide
CID 107934552
2-(3-bromo-4-carbamothioyl-2-fluoroanilino)-N-tert-butylacetamide
CID 107535302
2,3-difluoro-4-(2-methylsulfinylpropylamino)benzenecarbothioamide
CID 114017862
2,3-difluoro-4-(hexylamino)benzenecarbothioamide
CID 114017841
4-[(3-amino-3-oxopropyl)amino]-2,3-difluorobenzoic acid
CID 79837698
2,3-difluoro-4-[(3-fluorophenyl)methylamino]benzenecarbothioamide
CID 107934495

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide?
The IUPAC name of 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide (CID 107934350) is 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide.
What is the SMILES notation for 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide?
The canonical SMILES for 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide is NC(=O)CNc1ccc(C(N)=S)c(F)c1F.
What is the InChIKey of 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide?
The InChIKey is UCDMFGIWBGYLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3OS/c10-7-4(9(13)16)1-2-5(8(7)11)14-3-6(12)15/h1-2,14H,3H2,(H2,12,15)(H2,13,16).
What are the key properties of 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide?
2-(4-carbamothioyl-2,3-difluoroanilino)acetamide has a molecular weight of 245.25 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2,3-difluoroanilino)acetamide is sourced from PubChem (CID 107934350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).