3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid

C17H19N3O4S — CID 2999097

IUPAC3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C17H19N3O4S/c21-14(18-12-6-4-5-11(9-12)16(23)24)10-13-15(22)19-17(25-13)20-7-2-1-3-8-20/h4-6,9,13H,1-3,7-8,10H2,(H,18,21)(H,23,24)
InChIKeyHZWUWYUGWFLYHH-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.20
Rot. Bonds4

About 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid

3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid (PubChem CID 2999097) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
PubChem CID2999097
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C17H19N3O4S/c21-14(18-12-6-4-5-11(9-12)16(23)24)10-13-15(22)19-17(25-13)20-7-2-1-3-8-20/h4-6,9,13H,1-3,7-8,10H2,(H,18,21)(H,23,24)
InChIKeyHZWUWYUGWFLYHH-UHFFFAOYSA-N
XLogP2.20
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid (CID 2999097) is 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
The InChIKey is HZWUWYUGWFLYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-14(18-12-6-4-5-11(9-12)16(23)24)10-13-15(22)19-17(25-13)20-7-2-1-3-8-20/h4-6,9,13H,1-3,7-8,10H2,(H,18,21)(H,23,24).
What are the key properties of 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid has a molecular weight of 361.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 2999097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).