4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid

C15H16N2O2S — CID 58256899

IUPAC4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H16N2O2S/c18-14(19)12-6-4-11(5-7-12)13-10-20-15(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,19)
InChIKeyMDYHBLVQVAEYCU-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.50
Rot. Bonds3

About 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid

4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid (PubChem CID 58256899) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
PubChem CID58256899
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2csc(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H16N2O2S/c18-14(19)12-6-4-11(5-7-12)13-10-20-15(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,19)
InChIKeyMDYHBLVQVAEYCU-UHFFFAOYSA-N
XLogP3.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
2-phenyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4224043
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
3-[4-[2-(azepan-1-yl)-1,3-thiazol-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 99600302
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]adamantane-1-carboxamide
CID 5138188

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid (CID 58256899) is 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid is O=C(O)c1ccc(-c2csc(N3CCCCC3)n2)cc1.
What is the InChIKey of 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is MDYHBLVQVAEYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(19)12-6-4-11(5-7-12)13-10-20-15(16-13)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H,18,19).
What are the key properties of 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid?
4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 288.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-yl-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 58256899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).