methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate

C11H9FN2O2S — CID 115422884

IUPACmethyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cn2)sc1C
InChIInChI=1S/C11H9FN2O2S/c1-6-9(11(15)16-2)14-10(17-6)8-4-3-7(12)5-13-8/h3-5H,1-2H3
InChIKeyRPNDULZSMJFQCT-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.44
Rot. Bonds2

About methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115422884) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115422884
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Namemethyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)cn2)sc1C
InChIInChI=1S/C11H9FN2O2S/c1-6-9(11(15)16-2)14-10(17-6)8-4-3-7(12)5-13-8/h3-5H,1-2H3
InChIKeyRPNDULZSMJFQCT-UHFFFAOYSA-N
XLogP2.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 115422884) is methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2ccc(F)cn2)sc1C.
What is the InChIKey of methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is RPNDULZSMJFQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-6-9(11(15)16-2)14-10(17-6)8-4-3-7(12)5-13-8/h3-5H,1-2H3.
What are the key properties of methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).