2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde

C6H5F3N2OS — CID 88578691

IUPAC2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(NCC(F)(F)F)s1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)3-11-5-10-1-4(2-12)13-5/h1-2H,3H2,(H,10,11)
InChIKeyJZYBADINNXBDMB-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.93
Rot. Bonds3

About 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde

2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde (PubChem CID 88578691) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde
PubChem CID88578691
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC Name2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(NCC(F)(F)F)s1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)3-11-5-10-1-4(2-12)13-5/h1-2H,3H2,(H,10,11)
InChIKeyJZYBADINNXBDMB-UHFFFAOYSA-N
XLogP1.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde (CID 88578691) is 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(NCC(F)(F)F)s1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde?
The InChIKey is JZYBADINNXBDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c7-6(8,9)3-11-5-10-1-4(2-12)13-5/h1-2H,3H2,(H,10,11).
What are the key properties of 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde?
2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde has a molecular weight of 210.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 88578691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).