ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate

C11H16N2O2S — CID 23627813

IUPACethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC2)sc1N
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)8-9(12)16-10(13-8)7-5-3-4-6-7/h7H,2-6,12H2,1H3
InChIKeyRRPJOPQOTRHTNY-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.56
Rot. Bonds3

About ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate (PubChem CID 23627813) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate
PubChem CID23627813
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCC2)sc1N
InChIInChI=1S/C11H16N2O2S/c1-2-15-11(14)8-9(12)16-10(13-8)7-5-3-4-6-7/h7H,2-6,12H2,1H3
InChIKeyRRPJOPQOTRHTNY-UHFFFAOYSA-N
XLogP2.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate (CID 23627813) is ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CCCC2)sc1N.
What is the InChIKey of ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate?
The InChIKey is RRPJOPQOTRHTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-15-11(14)8-9(12)16-10(13-8)7-5-3-4-6-7/h7H,2-6,12H2,1H3.
What are the key properties of ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 23627813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).