ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate

C13H20N2O4S — CID 116698032

IUPACethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOCCN(CC)C(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C13H20N2O4S/c1-4-15(7-8-18-5-2)12(16)10-9-20-11(14-10)13(17)19-6-3/h9H,4-8H2,1-3H3
InChIKeyAMAMPNOVXYHHFT-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.82
Rot. Bonds8

About ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 116698032) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID116698032
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOCCN(CC)C(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C13H20N2O4S/c1-4-15(7-8-18-5-2)12(16)10-9-20-11(14-10)13(17)19-6-3/h9H,4-8H2,1-3H3
InChIKeyAMAMPNOVXYHHFT-UHFFFAOYSA-N
XLogP1.82
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
ethyl 4-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698241
ethyl 4-[3-(diethylamino)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697639
ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 106936633
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666
ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697864
ethyl 4-[2-cyanoethyl(2-methylpropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697911
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697900
2-[2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374539
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697982
ethyl 4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697872

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 116698032) is ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOCCN(CC)C(=O)c1csc(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is AMAMPNOVXYHHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-15(7-8-18-5-2)12(16)10-9-20-11(14-10)13(17)19-6-3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).