5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C7H8F2N2O4S2 — CID 79402115

IUPAC5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)C(F)F)c1C(=O)O
InChIInChI=1S/C7H8F2N2O4S2/c1-3-4(6(12)13)5(16-10-3)11(2)17(14,15)7(8)9/h7H,1-2H3,(H,12,13)
InChIKeyBPYBJBJVWMQYME-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.14
Rot. Bonds4

About 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402115) has the molecular formula C7H8F2N2O4S2 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402115
Molecular FormulaC7H8F2N2O4S2
Molecular Weight286.28 g/mol
Exact Mass285.99
IUPAC Name5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)S(=O)(=O)C(F)F)c1C(=O)O
InChIInChI=1S/C7H8F2N2O4S2/c1-3-4(6(12)13)5(16-10-3)11(2)17(14,15)7(8)9/h7H,1-2H3,(H,12,13)
InChIKeyBPYBJBJVWMQYME-UHFFFAOYSA-N
XLogP1.14
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402115) is 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)S(=O)(=O)C(F)F)c1C(=O)O.
What is the InChIKey of 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is BPYBJBJVWMQYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O4S2/c1-3-4(6(12)13)5(16-10-3)11(2)17(14,15)7(8)9/h7H,1-2H3,(H,12,13).
What are the key properties of 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoromethylsulfonyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).