[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate

C19H15ClN2O3S — CID 7783403

IUPAC[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H15ClN2O3S/c20-16-9-5-4-8-15(16)19-22-14(12-26-19)11-25-17(23)10-21-18(24)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,24)
InChIKeyLUVIITJJAYZFGU-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.94
Rot. Bonds6

About [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate (PubChem CID 7783403) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
PubChem CID7783403
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H15ClN2O3S/c20-16-9-5-4-8-15(16)19-22-14(12-26-19)11-25-17(23)10-21-18(24)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,24)
InChIKeyLUVIITJJAYZFGU-UHFFFAOYSA-N
XLogP3.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 2408728
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenyl)acetate
CID 8011882
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-bromobenzoyl)amino]acetate
CID 31272021
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 46559526
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(methanesulfonamido)benzoate
CID 30937526
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 167780209
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 7880026

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate (CID 7783403) is [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate?
The InChIKey is LUVIITJJAYZFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c20-16-9-5-4-8-15(16)19-22-14(12-26-19)11-25-17(23)10-21-18(24)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,24).
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate?
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate has a molecular weight of 386.86 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-benzamidoacetate is sourced from PubChem (CID 7783403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).