4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide

C7H9F3N2O3S3 — CID 106432230

IUPAC4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H9F3N2O3S3/c1-4-5(17-6(13)12-4)18(14,15)11-2-3-16-7(8,9)10/h11H,2-3H2,1H3,(H,12,13)
InChIKeyBNBHTUSACFWNEO-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.28
Rot. Bonds5

About 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide (PubChem CID 106432230) has the molecular formula C7H9F3N2O3S3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide
PubChem CID106432230
Molecular FormulaC7H9F3N2O3S3
Molecular Weight322.36 g/mol
Exact Mass321.97
IUPAC Name4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C7H9F3N2O3S3/c1-4-5(17-6(13)12-4)18(14,15)11-2-3-16-7(8,9)10/h11H,2-3H2,1H3,(H,12,13)
InChIKeyBNBHTUSACFWNEO-UHFFFAOYSA-N
XLogP1.28
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide (CID 106432230) is 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is BNBHTUSACFWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3S3/c1-4-5(17-6(13)12-4)18(14,15)11-2-3-16-7(8,9)10/h11H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 322.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 106432230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).