2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid

C12H19N3O4S2 — CID 66372954

IUPAC2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NC(C)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C12H19N3O4S2/c1-8-4-3-5-15(6-8)21(18,19)14-9(2)11-13-10(7-20-11)12(16)17/h7-9,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyXQKDRVBGTNVGOM-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372954) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372954
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC Name2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)NC(C)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C12H19N3O4S2/c1-8-4-3-5-15(6-8)21(18,19)14-9(2)11-13-10(7-20-11)12(16)17/h7-9,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyXQKDRVBGTNVGOM-UHFFFAOYSA-N
XLogP1.47
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic 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

2-[1-[(3-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374459
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114958949
2-[1-[(1-methylpiperidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374686
2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887
2-[1-[(4-methylcyclohexyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375442
2-[1-[(2,4-dimethylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372810
2-[1-(3-methylazetidin-1-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79688026
2-[1-(methylsulfonylmethylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82840243
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
CID 65285279
2-[1-[[(2R)-oxolane-2-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 104855810
(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide
CID 100853100

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372954) is 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid is CC1CCCN(S(=O)(=O)NC(C)c2nc(C(=O)O)cs2)C1.
What is the InChIKey of 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XQKDRVBGTNVGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-8-4-3-5-15(6-8)21(18,19)14-9(2)11-13-10(7-20-11)12(16)17/h7-9,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 333.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).