2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid

C16H18N4O6S2 — CID 55353253

IUPAC2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O
InChIInChI=1S/C16H18N4O6S2/c1-10-2-3-11(8-12(10)15(22)23)28(24,25)19-18-14(21)13-9-27-16(17-13)20-4-6-26-7-5-20/h2-3,8-9,19H,4-7H2,1H3,(H,18,21)(H,22,23)
InChIKeyLMHHRHWMMAYKEJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP0.61
Rot. Bonds6

About 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid

2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid (PubChem CID 55353253) has the molecular formula C16H18N4O6S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid
PubChem CID55353253
Molecular FormulaC16H18N4O6S2
Molecular Weight426.48 g/mol
Exact Mass426.07
IUPAC Name2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O
InChIInChI=1S/C16H18N4O6S2/c1-10-2-3-11(8-12(10)15(22)23)28(24,25)19-18-14(21)13-9-27-16(17-13)20-4-6-26-7-5-20/h2-3,8-9,19H,4-7H2,1H3,(H,18,21)(H,22,23)
InChIKeyLMHHRHWMMAYKEJ-UHFFFAOYSA-N
XLogP0.61
TPSA137.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid 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'-(4-bromo-3-methylphenyl)sulfonyl-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17498202
2-morpholin-4-yl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazole-4-carbohydrazide
CID 26950970
N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24980855
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
CID 8505665
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
4-methoxy-N-[(2S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxobutan-2-yl]benzenesulfonamide
CID 31717997
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid (CID 55353253) is 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid is Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid?
The InChIKey is LMHHRHWMMAYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O6S2/c1-10-2-3-11(8-12(10)15(22)23)28(24,25)19-18-14(21)13-9-27-16(17-13)20-4-6-26-7-5-20/h2-3,8-9,19H,4-7H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid?
2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid has a molecular weight of 426.48 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid is sourced from PubChem (CID 55353253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).