N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide

C23H20N4O4S2 — CID 59797922

IUPACN'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\N)c2c(Nc3ccc(Oc4ccccc4)cc3)s[nH]c2=O)cc1
InChIInChI=1S/C23H20N4O4S2/c1-15-7-13-19(14-8-15)33(29,30)27-21(24)20-22(28)26-32-23(20)25-16-9-11-18(12-10-16)31-17-5-3-2-4-6-17/h2-14,25H,1H3,(H2,24,27)(H,26,28)
InChIKeyYBADRHLBFACMOP-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.37
Rot. Bonds7

About N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide

N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide (PubChem CID 59797922) has the molecular formula C23H20N4O4S2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
PubChem CID59797922
Molecular FormulaC23H20N4O4S2
Molecular Weight480.57 g/mol
Exact Mass480.09
IUPAC NameN'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
SMILESCc1ccc(S(=O)(=O)/N=C(\N)c2c(Nc3ccc(Oc4ccccc4)cc3)s[nH]c2=O)cc1
InChIInChI=1S/C23H20N4O4S2/c1-15-7-13-19(14-8-15)33(29,30)27-21(24)20-22(28)26-32-23(20)25-16-9-11-18(12-10-16)31-17-5-3-2-4-6-17/h2-14,25H,1H3,(H2,24,27)(H,26,28)
InChIKeyYBADRHLBFACMOP-UHFFFAOYSA-N
XLogP4.37
TPSA126.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide 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-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide
CID 59798026
3-oxo-N'-(oxolan-2-ylmethyl)-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
CID 59135043
5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59862544
5-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59797967
3-oxo-N'-propan-2-yl-5-(4-pyrimidin-5-yloxyanilino)-1,2-thiazole-4-carboximidamide
CID 59798233
5-(3-fluoro-4-phenoxyanilino)-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide
CID 59797956
5-[4-(2-chloro-4-fluorophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59797946
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
(2R)-2-amino-2-(4-phenoxyphenyl)sulfonylpropanamide
CID 154454459

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide (CID 59797922) is N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide is Cc1ccc(S(=O)(=O)/N=C(\N)c2c(Nc3ccc(Oc4ccccc4)cc3)s[nH]c2=O)cc1.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide?
The InChIKey is YBADRHLBFACMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S2/c1-15-7-13-19(14-8-15)33(29,30)27-21(24)20-22(28)26-32-23(20)25-16-9-11-18(12-10-16)31-17-5-3-2-4-6-17/h2-14,25H,1H3,(H2,24,27)(H,26,28).
What are the key properties of N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide?
N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide has a molecular weight of 480.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 59797922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).