5-fluoro-1,3-thiazole-2-carboxamide

C4H3FN2OS — CID 67291866

IUPAC5-fluoro-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(F)s1
InChIInChI=1S/C4H3FN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8)
InChIKeyXLOFFAYPGNIRER-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.38
Rot. Bonds1

About 5-fluoro-1,3-thiazole-2-carboxamide

5-fluoro-1,3-thiazole-2-carboxamide (PubChem CID 67291866) has the molecular formula C4H3FN2OS and a molecular weight of 146.15 g/mol. Its IUPAC name is 5-fluoro-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-thiazole-2-carboxamide
PubChem CID67291866
Molecular FormulaC4H3FN2OS
Molecular Weight146.15 g/mol
Exact Mass146.00
IUPAC Name5-fluoro-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1ncc(F)s1
InChIInChI=1S/C4H3FN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8)
InChIKeyXLOFFAYPGNIRER-UHFFFAOYSA-N
XLogP0.38
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-fluoro-1,3-thiazole-2-carboxamide (CID 67291866) is 5-fluoro-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-fluoro-1,3-thiazole-2-carboxamide is NC(=O)c1ncc(F)s1.
What is the InChIKey of 5-fluoro-1,3-thiazole-2-carboxamide?
The InChIKey is XLOFFAYPGNIRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2OS/c5-2-1-7-4(9-2)3(6)8/h1H,(H2,6,8).
What are the key properties of 5-fluoro-1,3-thiazole-2-carboxamide?
5-fluoro-1,3-thiazole-2-carboxamide has a molecular weight of 146.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67291866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).