2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde

C11H8F3N3O2S — CID 158864957

IUPAC2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C=O)s1.O=Cc1cnccc1C(F)(F)F
InChIInChI=1S/C7H4F3NO.C4H4N2OS/c8-7(9,10)6-1-2-11-3-5(6)4-12;5-4-6-1-3(2-7)8-4/h1-4H;1-2H,(H2,5,6)
InChIKeyJBCNODHHUXFJIA-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.45
Rot. Bonds2

About 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde

2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 158864957) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID158864957
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESNc1ncc(C=O)s1.O=Cc1cnccc1C(F)(F)F
InChIInChI=1S/C7H4F3NO.C4H4N2OS/c8-7(9,10)6-1-2-11-3-5(6)4-12;5-4-6-1-3(2-7)8-4/h1-4H;1-2H,(H2,5,6)
InChIKeyJBCNODHHUXFJIA-UHFFFAOYSA-N
XLogP2.45
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde (CID 158864957) is 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde is Nc1ncc(C=O)s1.O=Cc1cnccc1C(F)(F)F.
What is the InChIKey of 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is JBCNODHHUXFJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO.C4H4N2OS/c8-7(9,10)6-1-2-11-3-5(6)4-12;5-4-6-1-3(2-7)8-4/h1-4H;1-2H,(H2,5,6).
What are the key properties of 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde?
2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 303.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 158864957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).