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

C14H14N2O3S — CID 9123441

IUPACmethyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2csc(C)n2)c1
InChIInChI=1S/C14H14N2O3S/c1-9-15-12(8-20-9)7-13(17)16-11-5-3-4-10(6-11)14(18)19-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeySNWSKFNPDUAJJE-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.42
Rot. Bonds4

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

methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate (PubChem CID 9123441) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
PubChem CID9123441
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)Cc2csc(C)n2)c1
InChIInChI=1S/C14H14N2O3S/c1-9-15-12(8-20-9)7-13(17)16-11-5-3-4-10(6-11)14(18)19-2/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeySNWSKFNPDUAJJE-UHFFFAOYSA-N
XLogP2.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
methyl 3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]benzoate
CID 110424177
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
ethyl 3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 39631537
methyl 3-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110330071
N-(3-benzyl-4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 36591038
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate (CID 9123441) is methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)Cc2csc(C)n2)c1.
What is the InChIKey of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The InChIKey is SNWSKFNPDUAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-15-12(8-20-9)7-13(17)16-11-5-3-4-10(6-11)14(18)19-2/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate has a molecular weight of 290.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 9123441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).