5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

C10H6F3N3O4S2 — CID 86567822

IUPAC5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H6F3N3O4S2/c11-10(12,13)6-2-1-5(3-14-6)22(19,20)16-8-7(9(17)18)15-4-21-8/h1-4,16H,(H,17,18)
InChIKeyFBLCQSFXTMMKFQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.06
Rot. Bonds4

About 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86567822) has the molecular formula C10H6F3N3O4S2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86567822
Molecular FormulaC10H6F3N3O4S2
Molecular Weight353.30 g/mol
Exact Mass352.98
IUPAC Name5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H6F3N3O4S2/c11-10(12,13)6-2-1-5(3-14-6)22(19,20)16-8-7(9(17)18)15-4-21-8/h1-4,16H,(H,17,18)
InChIKeyFBLCQSFXTMMKFQ-UHFFFAOYSA-N
XLogP2.06
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86567822) is 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FBLCQSFXTMMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O4S2/c11-10(12,13)6-2-1-5(3-14-6)22(19,20)16-8-7(9(17)18)15-4-21-8/h1-4,16H,(H,17,18).
What are the key properties of 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 353.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).