[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

C15H15F3N2O3S — CID 71888022

IUPAC[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3S/c1-9-12(13(19-2)24-20-9)14(21)22-7-10-4-3-5-11(6-10)23-8-15(16,17)18/h3-6,19H,7-8H2,1-2H3
InChIKeyRDIZHSYZZAPRPN-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.79
Rot. Bonds6

About [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 71888022) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID71888022
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Name[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCNc1snc(C)c1C(=O)OCc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C15H15F3N2O3S/c1-9-12(13(19-2)24-20-9)14(21)22-7-10-4-3-5-11(6-10)23-8-15(16,17)18/h3-6,19H,7-8H2,1-2H3
InChIKeyRDIZHSYZZAPRPN-UHFFFAOYSA-N
XLogP3.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 134024210
N-[(3-butoxyphenyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60517443
methyl 2-amino-3-[3-(2,2,2-trifluoroethoxy)phenyl]propanoate
CID 138985988
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195959
3,3-dimethylbutyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 113221509
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
dibenzyl 3-methyl-1,2-thiazole-4,5-dicarboxylate
CID 134511518
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 104562922
3-methyl-5-(methylamino)-N-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carboxamide
CID 27449178
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 55449861
2-(2-aminoethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620969
tert-butyl N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]carbamate
CID 58686888

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 71888022) is [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CNc1snc(C)c1C(=O)OCc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is RDIZHSYZZAPRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-9-12(13(19-2)24-20-9)14(21)22-7-10-4-3-5-11(6-10)23-8-15(16,17)18/h3-6,19H,7-8H2,1-2H3.
What are the key properties of [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
[3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 360.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxy)phenyl]methyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 71888022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).