[[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate

C16H10F3N3O4S — CID 24757069

IUPAC[[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate
SMILESCC(=O)ONC(=O)c1ncc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1O
InChIInChI=1S/C16H10F3N3O4S/c1-7(23)26-22-14(25)11-12(24)13-10(6-20-11)21-15(27-13)8-2-4-9(5-3-8)16(17,18)19/h2-6,24H,1H3,(H,22,25)
InChIKeyNSAAPNHYXPYSJH-UHFFFAOYSA-N
MW397.33 g/mol
LogP3.29
Rot. Bonds2

About [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate

[[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate (PubChem CID 24757069) has the molecular formula C16H10F3N3O4S and a molecular weight of 397.33 g/mol. Its IUPAC name is [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate.

Molecular Properties

Compound Name[[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate
PubChem CID24757069
Molecular FormulaC16H10F3N3O4S
Molecular Weight397.33 g/mol
Exact Mass397.03
IUPAC Name[[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate
SMILESCC(=O)ONC(=O)c1ncc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1O
InChIInChI=1S/C16H10F3N3O4S/c1-7(23)26-22-14(25)11-12(24)13-10(6-20-11)21-15(27-13)8-2-4-9(5-3-8)16(17,18)19/h2-6,24H,1H3,(H,22,25)
InChIKeyNSAAPNHYXPYSJH-UHFFFAOYSA-N
XLogP3.29
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate?
The IUPAC name of [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate (CID 24757069) is [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate.
What is the SMILES notation for [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate?
The canonical SMILES for [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate is CC(=O)ONC(=O)c1ncc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1O.
What is the InChIKey of [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate?
The InChIKey is NSAAPNHYXPYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O4S/c1-7(23)26-22-14(25)11-12(24)13-10(6-20-11)21-15(27-13)8-2-4-9(5-3-8)16(17,18)19/h2-6,24H,1H3,(H,22,25).
What are the key properties of [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate?
[[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate has a molecular weight of 397.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[7-hydroxy-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-c]pyridine-6-carbonyl]amino] acetate is sourced from PubChem (CID 24757069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).