3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid

C18H15FN2O2S — CID 118533528

IUPAC3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cc(F)cc(-c3cccnc3)c2)s1
InChIInChI=1S/C18H15FN2O2S/c1-11-9-21-18(24-11)16(8-17(22)23)14-5-13(6-15(19)7-14)12-3-2-4-20-10-12/h2-7,9-10,16H,8H2,1H3,(H,22,23)
InChIKeyCNNAMCRDLNRTNU-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.26
Rot. Bonds5

About 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid

3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 118533528) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID118533528
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(CC(=O)O)c2cc(F)cc(-c3cccnc3)c2)s1
InChIInChI=1S/C18H15FN2O2S/c1-11-9-21-18(24-11)16(8-17(22)23)14-5-13(6-15(19)7-14)12-3-2-4-20-10-12/h2-7,9-10,16H,8H2,1H3,(H,22,23)
InChIKeyCNNAMCRDLNRTNU-UHFFFAOYSA-N
XLogP4.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[5-(4-Methylphenyl)-2-pyridin-3-yl-1,3-thiazol-4-yl]acetic acid
CID 2384336
2-Phenyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic acid
CID 13417299
(Z)-2-phenyl-7-pyridin-3-yl-7-thiophen-2-ylhept-6-enoic acid
CID 13417300
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-methylpyridin-4-yl)thiazol-5-yl)acetic acid
CID 16118987
2-[4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]acetic Acid
CID 2118147
7-Pyridin-3-yl-7-thiazol-2-yl-hept-6-enoic acid
CID 13417289
2-(2-(Bis(4-fluorophenyl)methyl)-4-(pyridin-3-yl)thiazol-5-yl)acetic acid
CID 46229800
2-(2-(Bis(4-fluorophenyl)methyl)-4-(pyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229801
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-chloropyridin-4-yl)thiazol-5-yl)acetic acid
CID 46229846
2-(2-(Bis(4-fluorophenyl)methyl)-4-(5-fluoropyridin-3-yl)thiazol-5-yl)acetic acid
CID 46229994

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (CID 118533528) is 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1cnc(C(CC(=O)O)c2cc(F)cc(-c3cccnc3)c2)s1.
What is the InChIKey of 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is CNNAMCRDLNRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-11-9-21-18(24-11)16(8-17(22)23)14-5-13(6-15(19)7-14)12-3-2-4-20-10-12/h2-7,9-10,16H,8H2,1H3,(H,22,23).
What are the key properties of 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-pyridin-3-ylphenyl)-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 118533528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).