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

C11H13F3N2OS — CID 55113371

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(CC(F)(F)F)C2CC2)sc1C=O
InChIInChI=1S/C11H13F3N2OS/c1-2-8-9(5-17)18-10(15-8)16(7-3-4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyBBHNENNJJOJGGL-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.05
Rot. Bonds5

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

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde (PubChem CID 55113371) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
PubChem CID55113371
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N(CC(F)(F)F)C2CC2)sc1C=O
InChIInChI=1S/C11H13F3N2OS/c1-2-8-9(5-17)18-10(15-8)16(7-3-4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3
InChIKeyBBHNENNJJOJGGL-UHFFFAOYSA-N
XLogP3.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde (CID 55113371) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde is CCc1nc(N(CC(F)(F)F)C2CC2)sc1C=O.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is BBHNENNJJOJGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-2-8-9(5-17)18-10(15-8)16(7-3-4-7)6-11(12,13)14/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 278.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55113371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).