2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde

C8H4F3N3OS — CID 169086391

IUPAC2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ncc(C(F)(F)F)[nH]2)s1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)5-2-12-6(14-5)7-13-1-4(3-15)16-7/h1-3H,(H,12,14)
InChIKeyNTQJTKCNUQZBDP-UHFFFAOYSA-N
MW247.20 g/mol
LogP2.36
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde

2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 169086391) has the molecular formula C8H4F3N3OS and a molecular weight of 247.20 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID169086391
Molecular FormulaC8H4F3N3OS
Molecular Weight247.20 g/mol
Exact Mass247.00
IUPAC Name2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ncc(C(F)(F)F)[nH]2)s1
InChIInChI=1S/C8H4F3N3OS/c9-8(10,11)5-2-12-6(14-5)7-13-1-4(3-15)16-7/h1-3H,(H,12,14)
InChIKeyNTQJTKCNUQZBDP-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 52.36
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-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde (CID 169086391) is 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ncc(C(F)(F)F)[nH]2)s1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is NTQJTKCNUQZBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS/c9-8(10,11)5-2-12-6(14-5)7-13-1-4(3-15)16-7/h1-3H,(H,12,14).
What are the key properties of 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 247.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 169086391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).