2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde

C11H10F3N3OS — CID 169086399

IUPAC2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ncc(C=O)s1
InChIInChI=1S/C11H10F3N3OS/c1-6(2)17-4-8(11(12,13)14)16-9(17)10-15-3-7(5-18)19-10/h3-6H,1-2H3
InChIKeyDHCFTSUKGTUWRJ-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.42
Rot. Bonds3

About 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde

2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 169086399) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID169086399
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ncc(C=O)s1
InChIInChI=1S/C11H10F3N3OS/c1-6(2)17-4-8(11(12,13)14)16-9(17)10-15-3-7(5-18)19-10/h3-6H,1-2H3
InChIKeyDHCFTSUKGTUWRJ-UHFFFAOYSA-N
XLogP3.42
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde (CID 169086399) is 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde is CC(C)n1cc(C(F)(F)F)nc1-c1ncc(C=O)s1.
What is the InChIKey of 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is DHCFTSUKGTUWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-6(2)17-4-8(11(12,13)14)16-9(17)10-15-3-7(5-18)19-10/h3-6H,1-2H3.
What are the key properties of 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde?
2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 289.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 169086399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).