[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

C20H17F3N2O4S — CID 46516862

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C20H17F3N2O4S/c1-12-17(19(27)29-11-16(26)25(2)10-15-4-3-9-28-15)30-18(24-12)13-5-7-14(8-6-13)20(21,22)23/h3-9H,10-11H2,1-2H3
InChIKeyUFONWPBUEHPOQJ-UHFFFAOYSA-N
MW438.43 g/mol
LogP4.55
Rot. Bonds6

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate (PubChem CID 46516862) has the molecular formula C20H17F3N2O4S and a molecular weight of 438.43 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
PubChem CID46516862
Molecular FormulaC20H17F3N2O4S
Molecular Weight438.43 g/mol
Exact Mass438.09
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C20H17F3N2O4S/c1-12-17(19(27)29-11-16(26)25(2)10-15-4-3-9-28-15)30-18(24-12)13-5-7-14(8-6-13)20(21,22)23/h3-9H,10-11H2,1-2H3
InChIKeyUFONWPBUEHPOQJ-UHFFFAOYSA-N
XLogP4.55
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 32917799
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824747
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8511954
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824755
N-[3-(furan-2-ylmethoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55529881
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 32949875
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 46511920
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631764
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 31864106
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 56806663
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837719
N-[2-(2-methoxyphenoxy)ethyl]-N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55898105

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate (CID 46516862) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC(=O)N(C)Cc1ccco1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is UFONWPBUEHPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4S/c1-12-17(19(27)29-11-16(26)25(2)10-15-4-3-9-28-15)30-18(24-12)13-5-7-14(8-6-13)20(21,22)23/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 438.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 46516862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).