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

C11H13F3N2O3S — CID 106697133

IUPACmethyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCN(CC(F)(F)F)c1nc(C(=O)OC)c(C(C)=O)s1
InChIInChI=1S/C11H13F3N2O3S/c1-4-16(5-11(12,13)14)10-15-7(9(18)19-3)8(20-10)6(2)17/h4-5H2,1-3H3
InChIKeyFLDQKBJNQLSPGA-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.52
Rot. Bonds5

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

methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 106697133) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID106697133
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Namemethyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCN(CC(F)(F)F)c1nc(C(=O)OC)c(C(C)=O)s1
InChIInChI=1S/C11H13F3N2O3S/c1-4-16(5-11(12,13)14)10-15-7(9(18)19-3)8(20-10)6(2)17/h4-5H2,1-3H3
InChIKeyFLDQKBJNQLSPGA-UHFFFAOYSA-N
XLogP2.52
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-acetyl-2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazole-4-carboxylate
CID 106698193
5-acetyl-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697143
methyl 5-acetyl-2-[2-(dimethylamino)ethyl-propylamino]-1,3-thiazole-4-carboxylate
CID 106697306
methyl 5-acetyl-2-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxylate
CID 106696642
methyl 5-acetyl-2-(2,2-dimethylpropyl)-1,3-thiazole-4-carboxylate
CID 106696519
methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697962
1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82435586
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62766259
methyl 5-acetyl-2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazole-4-carboxylate
CID 106696783
methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697961
ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
CID 107377280

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate (CID 106697133) is methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate is CCN(CC(F)(F)F)c1nc(C(=O)OC)c(C(C)=O)s1.
What is the InChIKey of methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is FLDQKBJNQLSPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-4-16(5-11(12,13)14)10-15-7(9(18)19-3)8(20-10)6(2)17/h4-5H2,1-3H3.
What are the key properties of methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 310.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106697133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).