[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C17H20N2O3S — CID 7954932

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2sc(C)nc2C)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-9-6-10(2)15(11(3)7-9)19-14(20)8-22-17(21)16-12(4)18-13(5)23-16/h6-7H,8H2,1-5H3,(H,19,20)
InChIKeyFXZXDTJEKPPCAQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.48
Rot. Bonds4

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7954932) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7954932
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2sc(C)nc2C)c(C)c1
InChIInChI=1S/C17H20N2O3S/c1-9-6-10(2)15(11(3)7-9)19-14(20)8-22-17(21)16-12(4)18-13(5)23-16/h6-7H,8H2,1-5H3,(H,19,20)
InChIKeyFXZXDTJEKPPCAQ-UHFFFAOYSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469412
[2-(3,5-dichloroanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469411
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954887
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469323
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519534
[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469402
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954923
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954881
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 18268792
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519652
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469395
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-methylpyridine-3-carboxylate
CID 71823490

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7954932) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1cc(C)c(NC(=O)COC(=O)c2sc(C)nc2C)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is FXZXDTJEKPPCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-9-6-10(2)15(11(3)7-9)19-14(20)8-22-17(21)16-12(4)18-13(5)23-16/h6-7H,8H2,1-5H3,(H,19,20).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7954932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).