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

C14H21N3O3S — CID 114429032

IUPAC2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCNC(C(=O)NCc2nc(C)c(C(=O)O)s2)C1
InChIInChI=1S/C14H21N3O3S/c1-3-9-4-5-15-10(6-9)13(18)16-7-11-17-8(2)12(21-11)14(19)20/h9-10,15H,3-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYIZPCEBZQDHAGX-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.54
Rot. Bonds5

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

2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114429032) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID114429032
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCC1CCNC(C(=O)NCc2nc(C)c(C(=O)O)s2)C1
InChIInChI=1S/C14H21N3O3S/c1-3-9-4-5-15-10(6-9)13(18)16-7-11-17-8(2)12(21-11)14(19)20/h9-10,15H,3-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyYIZPCEBZQDHAGX-UHFFFAOYSA-N
XLogP1.54
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 104901151
4-methyl-2-[[(2-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 106740056
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 114428592
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]piperidine-2-carboxamide
CID 114428953
2-[(cyclooctanecarbonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65019067
4-ethyl-N-[(3-ethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 114429306
5-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 114429335
2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64987972
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 83192699
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-ethyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 114428575

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 114429032) is 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCC1CCNC(C(=O)NCc2nc(C)c(C(=O)O)s2)C1.
What is the InChIKey of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YIZPCEBZQDHAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-9-4-5-15-10(6-9)13(18)16-7-11-17-8(2)12(21-11)14(19)20/h9-10,15H,3-7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114429032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).