5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide

C12H11FN2O3S2 — CID 67268958

IUPAC5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C12H11FN2O3S2/c1-6-10(19-12(15-6)11(14)16)7-3-4-9(8(13)5-7)20(2,17)18/h3-5H,1-2H3,(H2,14,16)
InChIKeyZCXBJARMMOISCE-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.76
Rot. Bonds3

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

5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 67268958) has the molecular formula C12H11FN2O3S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID67268958
Molecular FormulaC12H11FN2O3S2
Molecular Weight314.36 g/mol
Exact Mass314.02
IUPAC Name5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C12H11FN2O3S2/c1-6-10(19-12(15-6)11(14)16)7-3-4-9(8(13)5-7)20(2,17)18/h3-5H,1-2H3,(H2,14,16)
InChIKeyZCXBJARMMOISCE-UHFFFAOYSA-N
XLogP1.76
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide (CID 67268958) is 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZCXBJARMMOISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S2/c1-6-10(19-12(15-6)11(14)16)7-3-4-9(8(13)5-7)20(2,17)18/h3-5H,1-2H3,(H2,14,16).
What are the key properties of 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide?
5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67268958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).