4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid

C13H19N3O3S — CID 106740056

IUPAC4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)C2CCNC(C)C2)sc1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-7-5-9(3-4-14-7)12(17)15-6-10-16-8(2)11(20-10)13(18)19/h7,9,14H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQOLFIIYIROARHH-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.15
Rot. Bonds4

About 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 106740056) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID106740056
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)C2CCNC(C)C2)sc1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-7-5-9(3-4-14-7)12(17)15-6-10-16-8(2)11(20-10)13(18)19/h7,9,14H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQOLFIIYIROARHH-UHFFFAOYSA-N
XLogP1.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 106740056) is 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)C2CCNC(C)C2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is QOLFIIYIROARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-7-5-9(3-4-14-7)12(17)15-6-10-16-8(2)11(20-10)13(18)19/h7,9,14H,3-6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 106740056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).