ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate

C13H18N2O3S — CID 2349751

IUPACethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CC2CCCC2)n1
InChIInChI=1S/C13H18N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeySSMWXCIQHUKILH-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.84
Rot. Bonds5

About ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 2349751) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID2349751
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CC2CCCC2)n1
InChIInChI=1S/C13H18N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeySSMWXCIQHUKILH-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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CID 4108982
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CID 21914754
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate (CID 2349751) is ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CC2CCCC2)n1.
What is the InChIKey of ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is SSMWXCIQHUKILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)7-9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclopentylacetyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2349751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).