2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde

C9H11F3N2OS — CID 62766259

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC(F)(F)F)c1nc(C)c(C=O)s1
InChIInChI=1S/C9H11F3N2OS/c1-3-14(5-9(10,11)12)8-13-6(2)7(4-15)16-8/h4H,3,5H2,1-2H3
InChIKeyDWLSWIYVXBOGPO-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.65
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde

2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62766259) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62766259
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCCN(CC(F)(F)F)c1nc(C)c(C=O)s1
InChIInChI=1S/C9H11F3N2OS/c1-3-14(5-9(10,11)12)8-13-6(2)7(4-15)16-8/h4H,3,5H2,1-2H3
InChIKeyDWLSWIYVXBOGPO-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
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-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62766259) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is CCN(CC(F)(F)F)c1nc(C)c(C=O)s1.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is DWLSWIYVXBOGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-3-14(5-9(10,11)12)8-13-6(2)7(4-15)16-8/h4H,3,5H2,1-2H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde?
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 252.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62766259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).