2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

C16H11FN2O2S — CID 94970777

IUPAC2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cc2ccccc2F)nc1-c1ccccn1
InChIInChI=1S/C16H11FN2O2S/c17-11-6-2-1-5-10(11)9-13-19-14(15(22-13)16(20)21)12-7-3-4-8-18-12/h1-8H,9H2,(H,20,21)
InChIKeySNMCQUDEUGAQJD-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.63
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 94970777) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID94970777
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Cc2ccccc2F)nc1-c1ccccn1
InChIInChI=1S/C16H11FN2O2S/c17-11-6-2-1-5-10(11)9-13-19-14(15(22-13)16(20)21)12-7-3-4-8-18-12/h1-8H,9H2,(H,20,21)
InChIKeySNMCQUDEUGAQJD-UHFFFAOYSA-N
XLogP3.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
2-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82064502
2-[(2-fluorophenyl)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227149
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970495
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141228
2-fluoro-4-(methylamino)-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 67262007
2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 141362741
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
4-(4-aminophenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227073
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (CID 94970777) is 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Cc2ccccc2F)nc1-c1ccccn1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SNMCQUDEUGAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-11-6-2-1-5-10(11)9-13-19-14(15(22-13)16(20)21)12-7-3-4-8-18-12/h1-8H,9H2,(H,20,21).
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).