N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride

C12H11ClF2N3OS2- — CID 53351047

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
SMILES[Cl-].[H]/N=c1\sccn1CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H11F2N3OS2.ClH/c13-11(14)20-9-3-1-8(2-4-9)16-10(18)7-17-5-6-19-12(17)15;/h1-6,11,15H,7H2,(H,16,18);1H/p-1/b15-12-;
InChIKeySWWGHHNWHIXURJ-OBBOLZQKSA-M
MW350.82 g/mol
LogP-0.01
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride (PubChem CID 53351047) has the molecular formula C12H11ClF2N3OS2- and a molecular weight of 350.82 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
PubChem CID53351047
Molecular FormulaC12H11ClF2N3OS2-
Molecular Weight350.82 g/mol
Exact Mass350.00
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
SMILES[Cl-].[H]/N=c1\sccn1CC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H11F2N3OS2.ClH/c13-11(14)20-9-3-1-8(2-4-9)16-10(18)7-17-5-6-19-12(17)15;/h1-6,11,15H,7H2,(H,16,18);1H/p-1/b15-12-;
InChIKeySWWGHHNWHIXURJ-OBBOLZQKSA-M
XLogP-0.01
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride 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-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5168236
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 3568385
N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 4537458
N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 3488325
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
N-(5-fluoro-2-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 2701258
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53314557
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 8716246
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 10849242
N-(tert-butylcarbamoyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53347078
N-(4-fluorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 113244392

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride (CID 53351047) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride is [Cl-].[H]/N=c1\sccn1CC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
The InChIKey is SWWGHHNWHIXURJ-OBBOLZQKSA-M. The full InChI is InChI=1S/C12H11F2N3OS2.ClH/c13-11(14)20-9-3-1-8(2-4-9)16-10(18)7-17-5-6-19-12(17)15;/h1-6,11,15H,7H2,(H,16,18);1H/p-1/b15-12-;.
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride has a molecular weight of 350.82 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride is sourced from PubChem (CID 53351047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).