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

C11H15F3N2OS — CID 62764746

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1C=O
InChIInChI=1S/C11H15F3N2OS/c1-3-5-8-9(6-17)18-10(15-8)16(4-2)7-11(12,13)14/h6H,3-5,7H2,1-2H3
InChIKeyZPYJGMGHSYRXKG-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.30
Rot. Bonds6

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

2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62764746) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID62764746
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1C=O
InChIInChI=1S/C11H15F3N2OS/c1-3-5-8-9(6-17)18-10(15-8)16(4-2)7-11(12,13)14/h6H,3-5,7H2,1-2H3
InChIKeyZPYJGMGHSYRXKG-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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Related Compounds

2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62766259
2-[butyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765926
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
5-(ethylaminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767854
2-(N-ethyl-4-methylanilino)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63513910
2-methyl-4-propyl-1,3-thiazole-5-carbaldehyde
CID 118654121
2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 62750118
2-(diethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764542
5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767508
4-tert-butyl-2-[ethyl(propyl)amino]-1,3-thiazole-5-carbaldehyde
CID 55112984
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764045
2-[(2-chlorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514434

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 62764746) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N(CC)CC(F)(F)F)sc1C=O.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is ZPYJGMGHSYRXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-3-5-8-9(6-17)18-10(15-8)16(4-2)7-11(12,13)14/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-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 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62764746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).