methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate

C7H7FN2O3S — CID 146448556

IUPACmethyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(C)=O)nc1F
InChIInChI=1S/C7H7FN2O3S/c1-3(11)9-7-10-5(8)4(14-7)6(12)13-2/h1-2H3,(H,9,10,11)
InChIKeyYVUQOBNSVMZESK-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.03
Rot. Bonds2

About methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate

methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate (PubChem CID 146448556) has the molecular formula C7H7FN2O3S and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate
PubChem CID146448556
Molecular FormulaC7H7FN2O3S
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Namemethyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(C)=O)nc1F
InChIInChI=1S/C7H7FN2O3S/c1-3(11)9-7-10-5(8)4(14-7)6(12)13-2/h1-2H3,(H,9,10,11)
InChIKeyYVUQOBNSVMZESK-UHFFFAOYSA-N
XLogP1.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate (CID 146448556) is methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(C)=O)nc1F.
What is the InChIKey of methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate?
The InChIKey is YVUQOBNSVMZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3S/c1-3(11)9-7-10-5(8)4(14-7)6(12)13-2/h1-2H3,(H,9,10,11).
What are the key properties of methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate?
methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 146448556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).