4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid

C20H24N2O3S — CID 119183737

IUPAC4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
SMILESCCc1csc(C2CCCN(C(=O)CCc3ccc(C(=O)O)cc3)C2)n1
InChIInChI=1S/C20H24N2O3S/c1-2-17-13-26-19(21-17)16-4-3-11-22(12-16)18(23)10-7-14-5-8-15(9-6-14)20(24)25/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3,(H,24,25)
InChIKeyMEZYFLCVCDYALW-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.74
Rot. Bonds6

About 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid

4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid (PubChem CID 119183737) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
PubChem CID119183737
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid
SMILESCCc1csc(C2CCCN(C(=O)CCc3ccc(C(=O)O)cc3)C2)n1
InChIInChI=1S/C20H24N2O3S/c1-2-17-13-26-19(21-17)16-4-3-11-22(12-16)18(23)10-7-14-5-8-15(9-6-14)20(24)25/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3,(H,24,25)
InChIKeyMEZYFLCVCDYALW-UHFFFAOYSA-N
XLogP3.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid with MolForge

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Related Compounds

4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CID 654980
4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid hydrobromide
CID 6603383
4-[({[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]acetyl}amino)methyl]benzoic acid
CID 29135440
US20230348450, Example 73
CID 162757236
4-({1-[(2-Isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]pyrrolidin-3-yl}methyl)benzoic acid
CID 56909941
4-{1-[(4-Methyl-1,3-thiazol-5-yl)carbonyl]piperidin-3-yl}benzoic acid
CID 72910037
4-{1-[(2-Methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl}benzoic acid
CID 72940399
4-[3-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]-3-oxopropyl]benzoic acid
CID 97323956
2-[[4-[(4-Ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 136551427
2-chloro-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 164638116
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 164641454
3-fluoro-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 164642848

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid?
The IUPAC name of 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid (CID 119183737) is 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid.
What is the SMILES notation for 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid?
The canonical SMILES for 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid is CCc1csc(C2CCCN(C(=O)CCc3ccc(C(=O)O)cc3)C2)n1.
What is the InChIKey of 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid?
The InChIKey is MEZYFLCVCDYALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-17-13-26-19(21-17)16-4-3-11-22(12-16)18(23)10-7-14-5-8-15(9-6-14)20(24)25/h5-6,8-9,13,16H,2-4,7,10-12H2,1H3,(H,24,25).
What are the key properties of 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid?
4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid has a molecular weight of 372.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzoic acid is sourced from PubChem (CID 119183737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).