4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide

C6H5F3N2O3S2 — CID 122628434

IUPAC4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O3S2/c1-3-2-15-5(10-3)4(12)11-16(13,14)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyNFICGVKZQMKMEP-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.03
Rot. Bonds2

About 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide

4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide (PubChem CID 122628434) has the molecular formula C6H5F3N2O3S2 and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
PubChem CID122628434
Molecular FormulaC6H5F3N2O3S2
Molecular Weight274.25 g/mol
Exact Mass273.97
IUPAC Name4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O3S2/c1-3-2-15-5(10-3)4(12)11-16(13,14)6(7,8)9/h2H,1H3,(H,11,12)
InChIKeyNFICGVKZQMKMEP-UHFFFAOYSA-N
XLogP1.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide (CID 122628434) is 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NS(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
The InChIKey is NFICGVKZQMKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O3S2/c1-3-2-15-5(10-3)4(12)11-16(13,14)6(7,8)9/h2H,1H3,(H,11,12).
What are the key properties of 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122628434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).