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

C12H15N3O4S — CID 104893005

IUPAC4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)c2csc(C(=O)O)n2)CC1
InChIInChI=1S/C12H15N3O4S/c1-7(16)13-8-2-4-15(5-3-8)11(17)9-6-20-10(14-9)12(18)19/h6,8H,2-5H2,1H3,(H,13,16)(H,18,19)
InChIKeyYMWLSRFNLKJODZ-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.58
Rot. Bonds3

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

4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 104893005) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
PubChem CID104893005
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
SMILESCC(=O)NC1CCN(C(=O)c2csc(C(=O)O)n2)CC1
InChIInChI=1S/C12H15N3O4S/c1-7(16)13-8-2-4-15(5-3-8)11(17)9-6-20-10(14-9)12(18)19/h6,8H,2-5H2,1H3,(H,13,16)(H,18,19)
InChIKeyYMWLSRFNLKJODZ-UHFFFAOYSA-N
XLogP0.58
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 113402246
4-(3-ethylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 104893030
4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 174900156
N-[1-(5-iodothiophene-3-carbonyl)piperidin-4-yl]acetamide
CID 113233340
4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893066
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271
N-cyclopentyl-4-[4-(4-methylphenyl)piperazine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 53158433
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
2-acetamido-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 47057312
methyl N-[1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]carbamate
CID 113402195
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid (CID 104893005) is 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid is CC(=O)NC1CCN(C(=O)c2csc(C(=O)O)n2)CC1.
What is the InChIKey of 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is YMWLSRFNLKJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-7(16)13-8-2-4-15(5-3-8)11(17)9-6-20-10(14-9)12(18)19/h6,8H,2-5H2,1H3,(H,13,16)(H,18,19).
What are the key properties of 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid?
4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidopiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104893005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).