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

C11H15F3N2OS — CID 62765256

IUPAC4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1nc(CC)c(C=O)s1
InChIInChI=1S/C11H15F3N2OS/c1-3-5-16(7-11(12,13)14)10-15-8(4-2)9(6-17)18-10/h6H,3-5,7H2,1-2H3
InChIKeyIJEVKGNALPCPSQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.30
Rot. Bonds6

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

4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 62765256) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
PubChem CID62765256
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
SMILESCCCN(CC(F)(F)F)c1nc(CC)c(C=O)s1
InChIInChI=1S/C11H15F3N2OS/c1-3-5-16(7-11(12,13)14)10-15-8(4-2)9(6-17)18-10/h6H,3-5,7H2,1-2H3
InChIKeyIJEVKGNALPCPSQ-UHFFFAOYSA-N
XLogP3.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.30
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 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde (CID 62765256) is 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is CCCN(CC(F)(F)F)c1nc(CC)c(C=O)s1.
What is the InChIKey of 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is IJEVKGNALPCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-3-5-16(7-11(12,13)14)10-15-8(4-2)9(6-17)18-10/h6H,3-5,7H2,1-2H3.
What are the key properties of 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde?
4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).