4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid

C17H21N3O4S2 — CID 108783704

IUPAC4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
SMILESCC1CCCCN1Cc1cnc(NS(=O)(=O)c2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C17H21N3O4S2/c1-12-4-2-3-9-20(12)11-14-10-18-17(25-14)19-26(23,24)15-7-5-13(6-8-15)16(21)22/h5-8,10,12H,2-4,9,11H2,1H3,(H,18,19)(H,21,22)
InChIKeyRYATZWOBIVLKIM-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.02
Rot. Bonds6

About 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid

4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid (PubChem CID 108783704) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
PubChem CID108783704
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
SMILESCC1CCCCN1Cc1cnc(NS(=O)(=O)c2ccc(C(=O)O)cc2)s1
InChIInChI=1S/C17H21N3O4S2/c1-12-4-2-3-9-20(12)11-14-10-18-17(25-14)19-26(23,24)15-7-5-13(6-8-15)16(21)22/h5-8,10,12H,2-4,9,11H2,1H3,(H,18,19)(H,21,22)
InChIKeyRYATZWOBIVLKIM-UHFFFAOYSA-N
XLogP3.02
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

N-[4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 108783696
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108802091
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
4-(1,3-dioxoisoindol-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767940
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108767973
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
5-[(2-methylpiperidin-1-yl)methyl]-N-(6-methylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 108778428
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 108778404

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid (CID 108783704) is 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid is CC1CCCCN1Cc1cnc(NS(=O)(=O)c2ccc(C(=O)O)cc2)s1.
What is the InChIKey of 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid?
The InChIKey is RYATZWOBIVLKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12-4-2-3-9-20(12)11-14-10-18-17(25-14)19-26(23,24)15-7-5-13(6-8-15)16(21)22/h5-8,10,12H,2-4,9,11H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid?
4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid has a molecular weight of 395.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 108783704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).