4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid

C18H16N2O2S — CID 118709524

IUPAC4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
SMILESCCCc1cc(-c2nc(-c3ccc(C(=O)O)cc3)cs2)ccn1
InChIInChI=1S/C18H16N2O2S/c1-2-3-15-10-14(8-9-19-15)17-20-16(11-23-17)12-4-6-13(7-5-12)18(21)22/h4-11H,2-3H2,1H3,(H,21,22)
InChIKeyBPZWDEPMIXJPMF-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.52
Rot. Bonds5

About 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid

4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid (PubChem CID 118709524) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
PubChem CID118709524
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
SMILESCCCc1cc(-c2nc(-c3ccc(C(=O)O)cc3)cs2)ccn1
InChIInChI=1S/C18H16N2O2S/c1-2-3-15-10-14(8-9-19-15)17-20-16(11-23-17)12-4-6-13(7-5-12)18(21)22/h4-11H,2-3H2,1H3,(H,21,22)
InChIKeyBPZWDEPMIXJPMF-UHFFFAOYSA-N
XLogP4.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ER-36009
CID 10172878
4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-thiophen-3-yl]-benzoic acid
CID 10524574
4-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-quinoxalin-2-yl)-thiophen-2-yl]-benzoic acid
CID 10572606
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-fluoropyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229845
2-[4-(4-Methylphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 1955694
4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CID 654980
3-[2-(4-Methylcyclohexyl)-3-pyridinyl]-5-phenylthiophene-2-carboxylic acid
CID 46911331
3-[2-[(4-Methylcyclohexylidene)methyl]-3-pyridinyl]-5-phenylthiophene-2-carboxylic acid
CID 49863000
2-[5-(4-Methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
CID 2384336
4-(4-phenyl-1,3-thiazol-2-yl)benzoic Acid
CID 1483684
4-(5-Pentylpyridin-2-yl)benzoic acid
CID 2053671

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid?
The IUPAC name of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid (CID 118709524) is 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid?
The canonical SMILES for 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid is CCCc1cc(-c2nc(-c3ccc(C(=O)O)cc3)cs2)ccn1.
What is the InChIKey of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid?
The InChIKey is BPZWDEPMIXJPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-3-15-10-14(8-9-19-15)17-20-16(11-23-17)12-4-6-13(7-5-12)18(21)22/h4-11H,2-3H2,1H3,(H,21,22).
What are the key properties of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid?
4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid has a molecular weight of 324.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]benzoic acid is sourced from PubChem (CID 118709524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).