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

C23H22F2N2O4S — CID 55386184

IUPAC[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCC(=O)N(c1nc(COC(=O)Cc2ccc(OC(F)F)cc2)cs1)c1cccc(C)c1C
InChIInChI=1S/C23H22F2N2O4S/c1-14-5-4-6-20(15(14)2)27(16(3)28)23-26-18(13-32-23)12-30-21(29)11-17-7-9-19(10-8-17)31-22(24)25/h4-10,13,22H,11-12H2,1-3H3
InChIKeyMKPDCCAXUDVBBR-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.33
Rot. Bonds8

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

[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 55386184) has the molecular formula C23H22F2N2O4S and a molecular weight of 460.50 g/mol. Its IUPAC name is [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID55386184
Molecular FormulaC23H22F2N2O4S
Molecular Weight460.50 g/mol
Exact Mass460.13
IUPAC Name[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCC(=O)N(c1nc(COC(=O)Cc2ccc(OC(F)F)cc2)cs1)c1cccc(C)c1C
InChIInChI=1S/C23H22F2N2O4S/c1-14-5-4-6-20(15(14)2)27(16(3)28)23-26-18(13-32-23)12-30-21(29)11-17-7-9-19(10-8-17)31-22(24)25/h4-10,13,22H,11-12H2,1-3H3
InChIKeyMKPDCCAXUDVBBR-UHFFFAOYSA-N
XLogP5.33
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate with MolForge

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Related Compounds

[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(4-ethylphenoxy)acetate
CID 55316654
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(3,4-dimethylphenyl)acetate
CID 8527095
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 7704963
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chlorophenyl)sulfanylacetate
CID 55308970
[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
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-acetamidobenzoate
CID 55315666
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
N-[4-[(3-cyanophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55579138
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 5-bromo-2-chlorobenzoate
CID 55315093
N-(2,3-dimethylphenyl)-N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]acetamide
CID 38928978

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate (CID 55386184) is [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate is CC(=O)N(c1nc(COC(=O)Cc2ccc(OC(F)F)cc2)cs1)c1cccc(C)c1C.
What is the InChIKey of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is MKPDCCAXUDVBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4S/c1-14-5-4-6-20(15(14)2)27(16(3)28)23-26-18(13-32-23)12-30-21(29)11-17-7-9-19(10-8-17)31-22(24)25/h4-10,13,22H,11-12H2,1-3H3.
What are the key properties of [2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate?
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 460.50 g/mol, XLogP of 5.33, 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-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 55386184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).