[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate

C22H21ClN2O5S — CID 55306942

IUPAC[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCOc1cccc(-c2nc(COC(=O)C(C)NC(=O)c3ccccc3Cl)cs2)c1OC
InChIInChI=1S/C22H21ClN2O5S/c1-13(24-20(26)15-7-4-5-9-17(15)23)22(27)30-11-14-12-31-21(25-14)16-8-6-10-18(28-2)19(16)29-3/h4-10,12-13H,11H2,1-3H3,(H,24,26)
InChIKeyQHVCTTIJDCWPJL-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.34
Rot. Bonds8

About [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 55306942) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID55306942
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCOc1cccc(-c2nc(COC(=O)C(C)NC(=O)c3ccccc3Cl)cs2)c1OC
InChIInChI=1S/C22H21ClN2O5S/c1-13(24-20(26)15-7-4-5-9-17(15)23)22(27)30-11-14-12-31-21(25-14)16-8-6-10-18(28-2)19(16)29-3/h4-10,12-13H,11H2,1-3H3,(H,24,26)
InChIKeyQHVCTTIJDCWPJL-UHFFFAOYSA-N
XLogP4.34
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-chlorobenzoate
CID 7775955
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 31273909
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605080
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl (E)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 16509905
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl quinoline-2-carboxylate
CID 7813128
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 8765688
[(1S)-1-(2-chlorophenyl)ethyl]-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8598527
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(3-chlorophenoxy)propanoate
CID 55323727
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methoxybenzoate
CID 16542545
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 1-phenylcyclopentane-1-carboxylate
CID 8611711

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate (CID 55306942) is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate is COc1cccc(-c2nc(COC(=O)C(C)NC(=O)c3ccccc3Cl)cs2)c1OC.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is QHVCTTIJDCWPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-13(24-20(26)15-7-4-5-9-17(15)23)22(27)30-11-14-12-31-21(25-14)16-8-6-10-18(28-2)19(16)29-3/h4-10,12-13H,11H2,1-3H3,(H,24,26).
What are the key properties of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate?
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 460.94 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 55306942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).