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

C17H17N3O4S — CID 18200073

IUPACmethyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C17H17N3O4S/c1-24-16(23)12-5-2-3-6-13(12)19-14(21)9-11-10-25-17(18-11)20-8-4-7-15(20)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,19,21)
InChIKeyZIHNVEZWLXPNIC-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.24
Rot. Bonds5

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

methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate (PubChem CID 18200073) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
PubChem CID18200073
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Namemethyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1
InChIInChI=1S/C17H17N3O4S/c1-24-16(23)12-5-2-3-6-13(12)19-14(21)9-11-10-25-17(18-11)20-8-4-7-15(20)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,19,21)
InChIKeyZIHNVEZWLXPNIC-UHFFFAOYSA-N
XLogP2.24
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
N-[2-(ethylaminomethyl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119439649
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 38169001
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9162811
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667697
N-(2-methyl-4-propan-2-yloxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55887427
N-(2,5-dibromophenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39166455
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27825242
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119419612
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27800997
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate (CID 18200073) is methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1.
What is the InChIKey of methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
The InChIKey is ZIHNVEZWLXPNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-24-16(23)12-5-2-3-6-13(12)19-14(21)9-11-10-25-17(18-11)20-8-4-7-15(20)22/h2-3,5-6,10H,4,7-9H2,1H3,(H,19,21).
What are the key properties of methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate?
methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate has a molecular weight of 359.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate is sourced from PubChem (CID 18200073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).