methyl 5-fluoro-1,3-thiazole-2-carboxylate

C5H4FNO2S — CID 130935748

IUPACmethyl 5-fluoro-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(F)s1
InChIInChI=1S/C5H4FNO2S/c1-9-5(8)4-7-2-3(6)10-4/h2H,1H3
InChIKeyDDOBDZFTJQIFRE-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.07
Rot. Bonds1

About methyl 5-fluoro-1,3-thiazole-2-carboxylate

methyl 5-fluoro-1,3-thiazole-2-carboxylate (PubChem CID 130935748) has the molecular formula C5H4FNO2S and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl 5-fluoro-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-1,3-thiazole-2-carboxylate
PubChem CID130935748
Molecular FormulaC5H4FNO2S
Molecular Weight161.16 g/mol
Exact Mass160.99
IUPAC Namemethyl 5-fluoro-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(F)s1
InChIInChI=1S/C5H4FNO2S/c1-9-5(8)4-7-2-3(6)10-4/h2H,1H3
InChIKeyDDOBDZFTJQIFRE-UHFFFAOYSA-N
XLogP1.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-fluoro-1,3-thiazole-2-carboxylate (CID 130935748) is methyl 5-fluoro-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-1,3-thiazole-2-carboxylate is COC(=O)c1ncc(F)s1.
What is the InChIKey of methyl 5-fluoro-1,3-thiazole-2-carboxylate?
The InChIKey is DDOBDZFTJQIFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FNO2S/c1-9-5(8)4-7-2-3(6)10-4/h2H,1H3.
What are the key properties of methyl 5-fluoro-1,3-thiazole-2-carboxylate?
methyl 5-fluoro-1,3-thiazole-2-carboxylate has a molecular weight of 161.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 130935748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).