[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate

C24H26N2O3S — CID 8527095

IUPAC[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
SMILESCC(=O)N(c1nc(COC(=O)Cc2ccc(C)c(C)c2)cs1)c1c(C)cccc1C
InChIInChI=1S/C24H26N2O3S/c1-15-9-10-20(11-18(15)4)12-22(28)29-13-21-14-30-24(25-21)26(19(5)27)23-16(2)7-6-8-17(23)3/h6-11,14H,12-13H2,1-5H3
InChIKeyUQYYKTLPIOCAPH-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.35
Rot. Bonds6

About [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate

[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate (PubChem CID 8527095) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
PubChem CID8527095
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
SMILESCC(=O)N(c1nc(COC(=O)Cc2ccc(C)c(C)c2)cs1)c1c(C)cccc1C
InChIInChI=1S/C24H26N2O3S/c1-15-9-10-20(11-18(15)4)12-22(28)29-13-21-14-30-24(25-21)26(19(5)27)23-16(2)7-6-8-17(23)3/h6-11,14H,12-13H2,1-5H3
InChIKeyUQYYKTLPIOCAPH-UHFFFAOYSA-N
XLogP5.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 7704963
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 2,3-dimethylbenzoate
CID 7968228
N-(2,6-dimethylphenyl)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]acetamide
CID 16768974
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386184
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8533364
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 31274335
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527252
[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-methylbenzoate
CID 7785928
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 2-naphthalen-2-ylsulfanylacetate
CID 31985817
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl 4-(thiophene-3-carbonylamino)butanoate
CID 55375351
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate
CID 55316654
[2-[N-acetyl-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 31210487

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate (CID 8527095) is [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate is CC(=O)N(c1nc(COC(=O)Cc2ccc(C)c(C)c2)cs1)c1c(C)cccc1C.
What is the InChIKey of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate?
The InChIKey is UQYYKTLPIOCAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-15-9-10-20(11-18(15)4)12-22(28)29-13-21-14-30-24(25-21)26(19(5)27)23-16(2)7-6-8-17(23)3/h6-11,14H,12-13H2,1-5H3.
What are the key properties of [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate?
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate has a molecular weight of 422.55 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 8527095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).