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

C17H19N3O4S — CID 3415760

IUPAC4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H19N3O4S/c21-14(18-12-6-4-11(5-7-12)16(23)24)10-13-15(22)19-17(25-13)20-8-2-1-3-9-20/h4-7,13H,1-3,8-10H2,(H,18,21)(H,23,24)
InChIKeyUVNKGGGHQLLTDY-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.20
Rot. Bonds4

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

4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid (PubChem CID 3415760) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
PubChem CID3415760
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C17H19N3O4S/c21-14(18-12-6-4-11(5-7-12)16(23)24)10-13-15(22)19-17(25-13)20-8-2-1-3-9-20/h4-7,13H,1-3,8-10H2,(H,18,21)(H,23,24)
InChIKeyUVNKGGGHQLLTDY-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 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid (CID 3415760) is 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
The InChIKey is UVNKGGGHQLLTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c21-14(18-12-6-4-11(5-7-12)16(23)24)10-13-15(22)19-17(25-13)20-8-2-1-3-9-20/h4-7,13H,1-3,8-10H2,(H,18,21)(H,23,24).
What are the key properties of 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid?
4-[[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 4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 3415760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).