4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide

C8H11F3N2O3S2 — CID 115521685

IUPAC4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H11F3N2O3S2/c1-5-6(17-7(14)13-5)18(15,16)12-4-2-3-8(9,10)11/h12H,2-4H2,1H3,(H,13,14)
InChIKeyCCVXXQRDFDDFRH-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.37
Rot. Bonds5

About 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 115521685) has the molecular formula C8H11F3N2O3S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID115521685
Molecular FormulaC8H11F3N2O3S2
Molecular Weight304.32 g/mol
Exact Mass304.02
IUPAC Name4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCC(F)(F)F
InChIInChI=1S/C8H11F3N2O3S2/c1-5-6(17-7(14)13-5)18(15,16)12-4-2-3-8(9,10)11/h12H,2-4H2,1H3,(H,13,14)
InChIKeyCCVXXQRDFDDFRH-UHFFFAOYSA-N
XLogP1.37
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide (CID 115521685) is 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCC(F)(F)F.
What is the InChIKey of 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is CCVXXQRDFDDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3S2/c1-5-6(17-7(14)13-5)18(15,16)12-4-2-3-8(9,10)11/h12H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 304.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(4,4,4-trifluorobutyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 115521685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).