methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate

C17H13ClN2O3S2 — CID 38237310

IUPACmethyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)ccc1Cl
InChIInChI=1S/C17H13ClN2O3S2/c1-23-17(22)12-7-10(4-5-13(12)18)19-15(21)8-11-9-25-16(20-11)14-3-2-6-24-14/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyPZCHNFBNVCNOHD-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.49
Rot. Bonds5

About methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate

methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate (PubChem CID 38237310) has the molecular formula C17H13ClN2O3S2 and a molecular weight of 392.89 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
PubChem CID38237310
Molecular FormulaC17H13ClN2O3S2
Molecular Weight392.89 g/mol
Exact Mass392.01
IUPAC Namemethyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)ccc1Cl
InChIInChI=1S/C17H13ClN2O3S2/c1-23-17(22)12-7-10(4-5-13(12)18)19-15(21)8-11-9-25-16(20-11)14-3-2-6-24-14/h2-7,9H,8H2,1H3,(H,19,21)
InChIKeyPZCHNFBNVCNOHD-UHFFFAOYSA-N
XLogP4.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 9441109
N-(3-chloro-4-cyanophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 26659353
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 42058383
N-(6-methoxy-3-pyridinyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197968
N-dibenzofuran-2-yl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18226286
N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17450324
N-(3-sulfamoylphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 34751638
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 36678786
N-[3-(2-thiophen-2-ylethynyl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18208686
2-methyl-2-[4-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120696800
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826649
N-(1,3,4-thiadiazol-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 29370112

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate (CID 38237310) is methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)Cc2csc(-c3cccs3)n2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The InChIKey is PZCHNFBNVCNOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S2/c1-23-17(22)12-7-10(4-5-13(12)18)19-15(21)8-11-9-25-16(20-11)14-3-2-6-24-14/h2-7,9H,8H2,1H3,(H,19,21).
What are the key properties of methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate has a molecular weight of 392.89 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 38237310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).