4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide

C7H7F3N2O3S2 — CID 122628436

IUPAC4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)C(F)(F)F)sc1C
InChIInChI=1S/C7H7F3N2O3S2/c1-3-4(2)16-6(11-3)5(13)12-17(14,15)7(8,9)10/h1-2H3,(H,12,13)
InChIKeyZVMBNHWQOHAUKY-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.34
Rot. Bonds2

About 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide

4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide (PubChem CID 122628436) has the molecular formula C7H7F3N2O3S2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
PubChem CID122628436
Molecular FormulaC7H7F3N2O3S2
Molecular Weight288.27 g/mol
Exact Mass287.99
IUPAC Name4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NS(=O)(=O)C(F)(F)F)sc1C
InChIInChI=1S/C7H7F3N2O3S2/c1-3-4(2)16-6(11-3)5(13)12-17(14,15)7(8,9)10/h1-2H3,(H,12,13)
InChIKeyZVMBNHWQOHAUKY-UHFFFAOYSA-N
XLogP1.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide (CID 122628436) is 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NS(=O)(=O)C(F)(F)F)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
The InChIKey is ZVMBNHWQOHAUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3S2/c1-3-4(2)16-6(11-3)5(13)12-17(14,15)7(8,9)10/h1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide?
4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(trifluoromethylsulfonyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 122628436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).