5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid

C11H15N3O3S — CID 106697979

IUPAC5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NN2CCCCC2)nc1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-7(15)9-8(10(16)17)12-11(18-9)13-14-5-3-2-4-6-14/h2-6H2,1H3,(H,12,13)(H,16,17)
InChIKeyALNNOZSAHXDMGH-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.86
Rot. Bonds4

About 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106697979) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID106697979
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NN2CCCCC2)nc1C(=O)O
InChIInChI=1S/C11H15N3O3S/c1-7(15)9-8(10(16)17)12-11(18-9)13-14-5-3-2-4-6-14/h2-6H2,1H3,(H,12,13)(H,16,17)
InChIKeyALNNOZSAHXDMGH-UHFFFAOYSA-N
XLogP1.86
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 107378211
5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697934
5-acetyl-2-(2,4,6-trimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 106696709
5-acetyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697057
5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106697130
5-acetyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697035
5-acetyl-2-(2,4,4-trimethylpentan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697415
5-acetyl-2-(3-cyclopropylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106698141
5-acetyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697269
5-acetyl-2-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697562
5-acetyl-2-(3-methylpentan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697199
3-chloro-6-(piperidin-1-ylamino)pyridine-2-carboxylic acid
CID 83016199

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid (CID 106697979) is 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(NN2CCCCC2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ALNNOZSAHXDMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-7(15)9-8(10(16)17)12-11(18-9)13-14-5-3-2-4-6-14/h2-6H2,1H3,(H,12,13)(H,16,17).
What are the key properties of 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).