[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate

C24H26N2O4S — CID 55316654

IUPAC[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1
InChIInChI=1S/C24H26N2O4S/c1-5-19-9-11-21(12-10-19)29-14-23(28)30-13-20-15-31-24(25-20)26(18(4)27)22-8-6-7-16(2)17(22)3/h6-12,15H,5,13-14H2,1-4H3
InChIKeyHTRCXZIEDLEKEI-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.13
Rot. Bonds8

About [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate

[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate (PubChem CID 55316654) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate
PubChem CID55316654
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1
InChIInChI=1S/C24H26N2O4S/c1-5-19-9-11-21(12-10-19)29-14-23(28)30-13-20-15-31-24(25-20)26(18(4)27)22-8-6-7-16(2)17(22)3/h6-12,15H,5,13-14H2,1-4H3
InChIKeyHTRCXZIEDLEKEI-UHFFFAOYSA-N
XLogP5.13
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386184
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-amino-3-methylbenzoate
CID 55562461
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (Z)-2-methylpent-2-enoate
CID 56511208
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl 2-(2-ethoxyphenoxy)acetate
CID 46538368
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
N-[4-[(3-cyanophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55579138
N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 38928978
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55531141
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-acetamidobenzoate
CID 55315666
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chlorophenyl)sulfanylacetate
CID 55308970
2-O-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 55357632
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 5-bromo-2-chlorobenzoate
CID 55315093

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate (CID 55316654) is [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1.
What is the InChIKey of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate?
The InChIKey is HTRCXZIEDLEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-5-19-9-11-21(12-10-19)29-14-23(28)30-13-20-15-31-24(25-20)26(18(4)27)22-8-6-7-16(2)17(22)3/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate?
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate has a molecular weight of 438.55 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 55316654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).