4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C11H17F3N2O2S2 — CID 142015951

IUPAC4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCCCCc1nc(C)c(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2O2S2/c1-3-4-5-6-9-16-8(2)10(19-9)20(17,18)15-7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyRPDYPPOFDKHCTJ-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.02
Rot. Bonds7

About 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 142015951) has the molecular formula C11H17F3N2O2S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID142015951
Molecular FormulaC11H17F3N2O2S2
Molecular Weight330.40 g/mol
Exact Mass330.07
IUPAC Name4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCCCCCc1nc(C)c(S(=O)(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H17F3N2O2S2/c1-3-4-5-6-9-16-8(2)10(19-9)20(17,18)15-7-11(12,13)14/h15H,3-7H2,1-2H3
InChIKeyRPDYPPOFDKHCTJ-UHFFFAOYSA-N
XLogP3.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
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-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 142015951) is 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is CCCCCc1nc(C)c(S(=O)(=O)NCC(F)(F)F)s1.
What is the InChIKey of 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is RPDYPPOFDKHCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S2/c1-3-4-5-6-9-16-8(2)10(19-9)20(17,18)15-7-11(12,13)14/h15H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 330.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 142015951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).