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

C5H5FN2OS — CID 69181887

IUPAC5-fluoro-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1F
InChIInChI=1S/C5H5FN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9)
InChIKeyIXARJCRKXNBSHZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.69
Rot. Bonds1

About 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide

5-fluoro-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 69181887) has the molecular formula C5H5FN2OS and a molecular weight of 160.17 g/mol. Its IUPAC name is 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID69181887
Molecular FormulaC5H5FN2OS
Molecular Weight160.17 g/mol
Exact Mass160.01
IUPAC Name5-fluoro-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1F
InChIInChI=1S/C5H5FN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9)
InChIKeyIXARJCRKXNBSHZ-UHFFFAOYSA-N
XLogP0.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide (CID 69181887) is 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1F.
What is the InChIKey of 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is IXARJCRKXNBSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9).
What are the key properties of 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide?
5-fluoro-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 160.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 69181887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).