2-fluoro-1,3-thiazole-4-carboxamide

C4H3FN2OS — CID 58001584

IUPAC2-fluoro-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(F)n1
InChIInChI=1S/C4H3FN2OS/c5-4-7-2(1-9-4)3(6)8/h1H,(H2,6,8)
InChIKeyDVYYFLUSDNZWMI-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.38
Rot. Bonds1

About 2-fluoro-1,3-thiazole-4-carboxamide

2-fluoro-1,3-thiazole-4-carboxamide (PubChem CID 58001584) has the molecular formula C4H3FN2OS and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-fluoro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-1,3-thiazole-4-carboxamide
PubChem CID58001584
Molecular FormulaC4H3FN2OS
Molecular Weight146.15 g/mol
Exact Mass146.00
IUPAC Name2-fluoro-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(F)n1
InChIInChI=1S/C4H3FN2OS/c5-4-7-2(1-9-4)3(6)8/h1H,(H2,6,8)
InChIKeyDVYYFLUSDNZWMI-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 2-fluoro-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-fluoro-1,3-thiazole-4-carboxamide (CID 58001584) is 2-fluoro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-fluoro-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-fluoro-1,3-thiazole-4-carboxamide is NC(=O)c1csc(F)n1.
What is the InChIKey of 2-fluoro-1,3-thiazole-4-carboxamide?
The InChIKey is DVYYFLUSDNZWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2OS/c5-4-7-2(1-9-4)3(6)8/h1H,(H2,6,8).
What are the key properties of 2-fluoro-1,3-thiazole-4-carboxamide?
2-fluoro-1,3-thiazole-4-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 2-fluoro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58001584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).