2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

C12H16N2O3S — CID 116697235

IUPAC2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC(C)N(C(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C12H16N2O3S/c1-7-3-4-8(2)14(5-7)11(15)10-13-9(6-18-10)12(16)17/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyRGUFZNYUNSAZOD-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.10
Rot. Bonds2

About 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid

2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116697235) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116697235
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC(C)N(C(=O)c2nc(C(=O)O)cs2)C1
InChIInChI=1S/C12H16N2O3S/c1-7-3-4-8(2)14(5-7)11(15)10-13-9(6-18-10)12(16)17/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyRGUFZNYUNSAZOD-UHFFFAOYSA-N
XLogP2.10
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid (CID 116697235) is 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is CC1CCC(C)N(C(=O)c2nc(C(=O)O)cs2)C1.
What is the InChIKey of 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RGUFZNYUNSAZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-3-4-8(2)14(5-7)11(15)10-13-9(6-18-10)12(16)17/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid?
2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).