N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide

C13H16N4O2S2 — CID 2942637

IUPACN,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide
SMILESCN(C)/C=N/c1ccc(S(=O)(=O)N(C)c2nccs2)cc1
InChIInChI=1S/C13H16N4O2S2/c1-16(2)10-15-11-4-6-12(7-5-11)21(18,19)17(3)13-14-8-9-20-13/h4-10H,1-3H3/b15-10+
InChIKeyYQMUNYGYFTVTIM-XNTDXEJSSA-N
MW324.43 g/mol
LogP2.19
Rot. Bonds5

About N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide

N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide (PubChem CID 2942637) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide
PubChem CID2942637
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC NameN,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide
SMILESCN(C)/C=N/c1ccc(S(=O)(=O)N(C)c2nccs2)cc1
InChIInChI=1S/C13H16N4O2S2/c1-16(2)10-15-11-4-6-12(7-5-11)21(18,19)17(3)13-14-8-9-20-13/h4-10H,1-3H3/b15-10+
InChIKeyYQMUNYGYFTVTIM-XNTDXEJSSA-N
XLogP2.19
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Sulfathiazole
CID 5340
Acetylsulfathiazole
CID 67183
Sodium sulfathiazole
CID 12285822
4-((5-Isopropyl-1,3-thiazol-2-YL)amino)benzenesulfonamide
CID 5327097
Thiazosulfone
CID 10124
Nitrosulfathiazole
CID 10127
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 2105710
5-[[4-(Hydroxyamino)phenyl]sulfonyl]-1,3-thiazol-2-amine
CID 44564474
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 694919
4-amino-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 270385
2-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 1724694
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-2-thiophenesulfonamide
CID 2207293

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide (CID 2942637) is N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide is CN(C)/C=N/c1ccc(S(=O)(=O)N(C)c2nccs2)cc1.
What is the InChIKey of N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide?
The InChIKey is YQMUNYGYFTVTIM-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-16(2)10-15-11-4-6-12(7-5-11)21(18,19)17(3)13-14-8-9-20-13/h4-10H,1-3H3/b15-10+.
What are the key properties of N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide?
N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide has a molecular weight of 324.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[4-[methyl(1,3-thiazol-2-yl)sulfamoyl]phenyl]methanimidamide is sourced from PubChem (CID 2942637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).