ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate

C13H14N2O3S2 — CID 787333

IUPACethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H14N2O3S2/c1-2-18-12(17)6-9-8-20-13(14-9)15-11(16)7-10-4-3-5-19-10/h3-5,8H,2,6-7H2,1H3,(H,14,15,16)
InChIKeyRYBMRPOBGISAQR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.49
Rot. Bonds6

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

ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 787333) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID787333
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Nameethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1
InChIInChI=1S/C13H14N2O3S2/c1-2-18-12(17)6-9-8-20-13(14-9)15-11(16)7-10-4-3-5-19-10/h3-5,8H,2,6-7H2,1H3,(H,14,15,16)
InChIKeyRYBMRPOBGISAQR-UHFFFAOYSA-N
XLogP2.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 741416
Methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 2809560
Ethyl 2-[2-(thiophene-2-amido)-1,3-thiazol-4-yl]acetate
CID 702932
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-thiophen-2-ylacetamide
CID 857972
Ethyl (2-{[(5-methyl-3-thienyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1246639
Methyl 4-methyl-2-[(2-thienylacetyl)amino]-1,3-thiazole-5-carboxylate
CID 1247203
Ethyl (2-{[(5-bromo-2-thienyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1247392
Ethyl (2-{[(4,5-dimethylthiophen-2-yl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 19585413
Ethyl 2-[2-(2-phenylacetamido)-1,3-thiazol-4-yl]acetate
CID 702939
[2-(3-Phenyl-propionylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 702951
Ethyl (2-{[3-(phenylthio)propanoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2228786
N-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2534247

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 787333) is ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1.
What is the InChIKey of ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is RYBMRPOBGISAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-2-18-12(17)6-9-8-20-13(14-9)15-11(16)7-10-4-3-5-19-10/h3-5,8H,2,6-7H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 310.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 787333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).