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

C13H16N4O3S2 — CID 2128213

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H16N4O3S2/c1-16(2)22(19,20)11-5-3-10(4-6-11)15-12(18)9-17-7-8-21-13(17)14/h3-8,14H,9H2,1-2H3,(H,15,18)/b14-13-
InChIKeyBCGCDPOUQKHBFS-YPKPFQOOSA-N
MW340.43 g/mol
LogP0.92
Rot. Bonds5

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

N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide (PubChem CID 2128213) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
PubChem CID2128213
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C13H16N4O3S2/c1-16(2)22(19,20)11-5-3-10(4-6-11)15-12(18)9-17-7-8-21-13(17)14/h3-8,14H,9H2,1-2H3,(H,15,18)/b14-13-
InChIKeyBCGCDPOUQKHBFS-YPKPFQOOSA-N
XLogP0.92
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide (CID 2128213) is N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide is [H]/N=c1\sccn1CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The InChIKey is BCGCDPOUQKHBFS-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-16(2)22(19,20)11-5-3-10(4-6-11)15-12(18)9-17-7-8-21-13(17)14/h3-8,14H,9H2,1-2H3,(H,15,18)/b14-13-.
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 2128213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).