2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid

C13H18N2O3S — CID 69484863

IUPAC2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CC(=O)N2CCCCC2)c(C(=O)O)s1
InChIInChI=1S/C13H18N2O3S/c1-2-10-14-9(12(19-10)13(17)18)8-11(16)15-6-4-3-5-7-15/h2-8H2,1H3,(H,17,18)
InChIKeySGJJTWSYQGZDNT-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.96
Rot. Bonds4

About 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid

2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 69484863) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID69484863
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(CC(=O)N2CCCCC2)c(C(=O)O)s1
InChIInChI=1S/C13H18N2O3S/c1-2-10-14-9(12(19-10)13(17)18)8-11(16)15-6-4-3-5-7-15/h2-8H2,1H3,(H,17,18)
InChIKeySGJJTWSYQGZDNT-UHFFFAOYSA-N
XLogP1.96
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-Aminopyrrolidin-1-yl)-2-oxoethyl]-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 68082487
2-Ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-5-carboxylic acid
CID 68082963
2-Tert-butyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69473891
2-Tert-butyl-4-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69474769
2-Tert-butyl-4-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69474785
2-Tert-butyl-4-[2-(carboxymethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69475637
2-Tert-butyl-4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69475655
4-[2-(4-Aminopiperidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 69476041
4-(2-Oxo-2-piperazin-1-ylethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 69476042
4-[2-(3-Aminopyrrolidin-1-yl)-2-oxoethyl]-2-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 69476047
2-Tert-butyl-4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69476057
2-Tert-butyl-4-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-5-carboxylic acid
CID 69476638

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid (CID 69484863) is 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid is CCc1nc(CC(=O)N2CCCCC2)c(C(=O)O)s1.
What is the InChIKey of 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SGJJTWSYQGZDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-10-14-9(12(19-10)13(17)18)8-11(16)15-6-4-3-5-7-15/h2-8H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid?
2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 69484863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).