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

C8H8F3NOS — CID 105480253

IUPAC5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(C)c1sc(C=O)nc1C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-4(2)6-7(8(9,10)11)12-5(3-13)14-6/h3-4H,1-2H3
InChIKeyBNZLBLNYUSXEAK-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.10
Rot. Bonds2

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

5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 105480253) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID105480253
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde
SMILESCC(C)c1sc(C=O)nc1C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-4(2)6-7(8(9,10)11)12-5(3-13)14-6/h3-4H,1-2H3
InChIKeyBNZLBLNYUSXEAK-UHFFFAOYSA-N
XLogP3.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde (CID 105480253) is 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde is CC(C)c1sc(C=O)nc1C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is BNZLBLNYUSXEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-4(2)6-7(8(9,10)11)12-5(3-13)14-6/h3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde?
5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 223.22 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 105480253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).