methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate

C10H11F3N2O3S — CID 55142670

IUPACmethyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C10H11F3N2O3S/c1-18-8(16)2-3-15(5-10(11,12)13)9(17)7-4-19-6-14-7/h4,6H,2-3,5H2,1H3
InChIKeyWRWUHPHAOTYXQL-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.71
Rot. Bonds5

About methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 55142670) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID55142670
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Namemethyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)c1cscn1
InChIInChI=1S/C10H11F3N2O3S/c1-18-8(16)2-3-15(5-10(11,12)13)9(17)7-4-19-6-14-7/h4,6H,2-3,5H2,1H3
InChIKeyWRWUHPHAOTYXQL-UHFFFAOYSA-N
XLogP1.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 71858990
[2-(Difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 121565148
(3,3-Difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130685234
N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63038078
N-ethyl-2-fluoro-N-methyl-1,3-thiazole-4-carboxamide
CID 123730947
(3-Fluoroazetidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130876038
[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 174870276
(4,4-Difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 174899868
1-(1,3-Thiazole-4-carbonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55143815
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 55145555
2,2,2-trifluoroethyl N-methyl-N-(1,3-thiazol-4-ylmethyl)carbamate
CID 61575660
Methyl 3-[(2-amino-1,3-thiazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 62788776

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate (CID 55142670) is methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)c1cscn1.
What is the InChIKey of methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is WRWUHPHAOTYXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-18-8(16)2-3-15(5-10(11,12)13)9(17)7-4-19-6-14-7/h4,6H,2-3,5H2,1H3.
What are the key properties of methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 296.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1,3-thiazole-4-carbonyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 55142670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).