methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate

C15H10FN3O2S — CID 68625422

IUPACmethyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C15H10FN3O2S/c1-21-15(20)12-4-2-3-11(19-12)13-8-18-14(22-13)9-5-10(16)7-17-6-9/h2-8H,1H3
InChIKeyTWOUHJCISDSLLD-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.19
Rot. Bonds3

About methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate

methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate (PubChem CID 68625422) has the molecular formula C15H10FN3O2S and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate
PubChem CID68625422
Molecular FormulaC15H10FN3O2S
Molecular Weight315.33 g/mol
Exact Mass315.05
IUPAC Namemethyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1
InChIInChI=1S/C15H10FN3O2S/c1-21-15(20)12-4-2-3-11(19-12)13-8-18-14(22-13)9-5-10(16)7-17-6-9/h2-8H,1H3
InChIKeyTWOUHJCISDSLLD-UHFFFAOYSA-N
XLogP3.19
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate (CID 68625422) is methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2cnc(-c3cncc(F)c3)s2)n1.
What is the InChIKey of methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate?
The InChIKey is TWOUHJCISDSLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S/c1-21-15(20)12-4-2-3-11(19-12)13-8-18-14(22-13)9-5-10(16)7-17-6-9/h2-8H,1H3.
What are the key properties of methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate?
methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]pyridine-2-carboxylate is sourced from PubChem (CID 68625422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).