N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide

C11H12F2N4O2S — CID 139221812

IUPACN-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(F)(F)C(=O)NNC(N)=S
InChIInChI=1S/C11H12F2N4O2S/c1-6(18)15-8-5-3-2-4-7(8)11(12,13)9(19)16-17-10(14)20/h2-5H,1H3,(H,15,18)(H,16,19)(H3,14,17,20)
InChIKeyBSRZYGNIPOICBV-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.60
Rot. Bonds3

About N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide

N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide (PubChem CID 139221812) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide
PubChem CID139221812
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC NameN-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C(F)(F)C(=O)NNC(N)=S
InChIInChI=1S/C11H12F2N4O2S/c1-6(18)15-8-5-3-2-4-7(8)11(12,13)9(19)16-17-10(14)20/h2-5H,1H3,(H,15,18)(H,16,19)(H3,14,17,20)
InChIKeyBSRZYGNIPOICBV-UHFFFAOYSA-N
XLogP0.60
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]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

2-(cyclopropylcarbonyl)-N-[2-(trifluoromethyl)phenyl]-1-hydrazinecarbothioamide
CID 2730250
N-phenyl-2-(phenylacetyl)hydrazinecarbothioamide
CID 722757
2-(cyanoacetyl)-N-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamide
CID 2207276
N-(2-(1,1-difluoro-2-oxo-2-(2-phenylhydrazinyl)ethyl)phenyl)acetamide
CID 145972347
N-[2-[1,1-difluoro-2-oxo-2-(2-phenylhydrazinyl)ethyl]-4-methylphenyl]acetamide
CID 145977318
N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]-4-chlorophenyl]acetamide
CID 145968021
2-Hydroxyquinoline-4-carbohydrazide
CID 676699
3-Thioxospiro[1,2,4,5-tetraazaperhydroine-6,3'-indoline]-8-one
CID 736996
Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-
CID 3000331
6-fluoro-2-oxo-1H-quinoline-4-carbohydrazide
CID 70692587
N-(2-(2-(2-carbamimidoylhydrazinyl)-1,1-difluoro-2-oxoethyl)phenyl)acetamide
CID 145964728
N-[2-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-4-methylphenyl]acetamide
CID 145976818

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide (CID 139221812) is N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1ccccc1C(F)(F)C(=O)NNC(N)=S.
What is the InChIKey of N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide?
The InChIKey is BSRZYGNIPOICBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c1-6(18)15-8-5-3-2-4-7(8)11(12,13)9(19)16-17-10(14)20/h2-5H,1H3,(H,15,18)(H,16,19)(H3,14,17,20).
What are the key properties of N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide?
N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide has a molecular weight of 302.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-carbamothioylhydrazinyl)-1,1-difluoro-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 139221812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).