ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H15N3O6S — CID 1082191

IUPACethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H15N3O6S/c1-2-23-14(20)7-10-9-25-15(16-10)17-13(19)8-24-12-6-4-3-5-11(12)18(21)22/h3-6,9H,2,7-8H2,1H3,(H,16,17,19)
InChIKeyIHVILFDGNDTREQ-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.17
Rot. Bonds8

About ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1082191) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID1082191
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Nameethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C15H15N3O6S/c1-2-23-14(20)7-10-9-25-15(16-10)17-13(19)8-24-12-6-4-3-5-11(12)18(21)22/h3-6,9H,2,7-8H2,1H3,(H,16,17,19)
InChIKeyIHVILFDGNDTREQ-UHFFFAOYSA-N
XLogP2.17
TPSA120.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 733432
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
{2-[2-(4-Methoxy-phenoxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 986301
Ethyl 2-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 2066144
2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 717241
N-Hydroxy-2-[2-(2-phenoxy-acetylamino)-thiazol-4-yl]-acetamide
CID 44397327
2-(4-nitrophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 16015287
2-(2-fluorophenoxy)-N-(4-(4-nitrothiophen-2-yl)thiazol-2-yl)acetamide
CID 43951067
2-(2-(3-(2-Methoxyphenyl)ureido)thiazol-4-yl)acetic acid
CID 16772505
Methyl (4-(2-((2-methoxyphenyl)amino)-2-oxoethyl)thiazol-2-yl)carbamate
CID 16883787
Ethyl (2-(4-ethoxyanilino)-1,3-thiazol-4-yl)acetate
CID 365852
Ethyl 2-[2-[[2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 17453674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 1082191) is ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is IHVILFDGNDTREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-2-23-14(20)7-10-9-25-15(16-10)17-13(19)8-24-12-6-4-3-5-11(12)18(21)22/h3-6,9H,2,7-8H2,1H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 365.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1082191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).