1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate

C10H7FN2O2S — CID 86800870

IUPAC1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate
SMILESO=C(OCc1cncs1)c1ccc(F)cn1
InChIInChI=1S/C10H7FN2O2S/c11-7-1-2-9(13-3-7)10(14)15-5-8-4-12-6-16-8/h1-4,6H,5H2
InChIKeyLDZJQLKMULWDCN-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.03
Rot. Bonds3

About 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate

1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate (PubChem CID 86800870) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate
PubChem CID86800870
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate
SMILESO=C(OCc1cncs1)c1ccc(F)cn1
InChIInChI=1S/C10H7FN2O2S/c11-7-1-2-9(13-3-7)10(14)15-5-8-4-12-6-16-8/h1-4,6H,5H2
InChIKeyLDZJQLKMULWDCN-UHFFFAOYSA-N
XLogP2.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-(methylsulfanyl)-2-pyridinecarboxylate
CID 901956
Methyl 3-methylsulfanylpyridine-2-carboxylate
CID 1214445
Pyridine-2-carboxylic acid thiazol-2-ylcarbamoylmethyl ester
CID 652523
5-(Thiazol-2-yl)pyridine-2-carboxylic acid
CID 57827797
Methyl 5-(thiazol-2-yl)pyridine-2-carboxylate
CID 118993822
[3-(5-Fluoro-1,3-thiazol-2-yl)-3-oxido-1-prop-2-enylimidazolidin-3-ium-4-yl] pyridine-2-carboxylate
CID 21413281
[3-(5-Fluoro-1,3-thiazol-2-yl)-2-oxo-1-prop-2-enylimidazolidin-4-yl] pyridine-2-carboxylate
CID 68121185
Methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate
CID 68625422
Ethyl 6-[[4-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89474896
Methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422884
Methyl 5-ethyl-2-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazole-4-carboxylate
CID 117821762
Methyl 5-ethyl-2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxylate
CID 117821975

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate?
The IUPAC name of 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate (CID 86800870) is 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate is O=C(OCc1cncs1)c1ccc(F)cn1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate?
The InChIKey is LDZJQLKMULWDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-7-1-2-9(13-3-7)10(14)15-5-8-4-12-6-16-8/h1-4,6H,5H2.
What are the key properties of 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate?
1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl 5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 86800870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).