dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate

C22H20N2O6S — CID 16610768

IUPACdimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCc2csc(N(C(C)=O)c3ccccc3)n2)cc(C(=O)OC)c1
InChIInChI=1S/C22H20N2O6S/c1-14(25)24(18-7-5-4-6-8-18)22-23-17(13-31-22)12-30-19-10-15(20(26)28-2)9-16(11-19)21(27)29-3/h4-11,13H,12H2,1-3H3
InChIKeyUNKZRZVRGWMXHL-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.98
Rot. Bonds7

About dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate (PubChem CID 16610768) has the molecular formula C22H20N2O6S and a molecular weight of 440.48 g/mol. Its IUPAC name is dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
PubChem CID16610768
Molecular FormulaC22H20N2O6S
Molecular Weight440.48 g/mol
Exact Mass440.10
IUPAC Namedimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OCc2csc(N(C(C)=O)c3ccccc3)n2)cc(C(=O)OC)c1
InChIInChI=1S/C22H20N2O6S/c1-14(25)24(18-7-5-4-6-8-18)22-23-17(13-31-22)12-30-19-10-15(20(26)28-2)9-16(11-19)21(27)29-3/h4-11,13H,12H2,1-3H3
InChIKeyUNKZRZVRGWMXHL-UHFFFAOYSA-N
XLogP3.98
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate with MolForge

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Related Compounds

2-O-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505745
N-[4-[(4-benzoylphenoxy)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 16611293
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7783579
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092682
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8532550
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate
CID 8018161
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
CID 7797536
N-[4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611578
dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 27264242
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624757

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate (CID 16610768) is dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate is COC(=O)c1cc(OCc2csc(N(C(C)=O)c3ccccc3)n2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate?
The InChIKey is UNKZRZVRGWMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S/c1-14(25)24(18-7-5-4-6-8-18)22-23-17(13-31-22)12-30-19-10-15(20(26)28-2)9-16(11-19)21(27)29-3/h4-11,13H,12H2,1-3H3.
What are the key properties of dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate has a molecular weight of 440.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 16610768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).