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

C10H15F3N2O3S2 — CID 60985685

IUPAC4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3S2/c1-6(2)4-15(5-10(11,12)13)20(17,18)8-7(3)14-9(16)19-8/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyOILNMMRVUQMNSP-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.95
Rot. Bonds5

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

4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60985685) has the molecular formula C10H15F3N2O3S2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID60985685
Molecular FormulaC10H15F3N2O3S2
Molecular Weight332.37 g/mol
Exact Mass332.05
IUPAC Name4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O3S2/c1-6(2)4-15(5-10(11,12)13)20(17,18)8-7(3)14-9(16)19-8/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyOILNMMRVUQMNSP-UHFFFAOYSA-N
XLogP1.95
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (CID 60985685) is 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is OILNMMRVUQMNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3S2/c1-6(2)4-15(5-10(11,12)13)20(17,18)8-7(3)14-9(16)19-8/h6H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60985685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).