ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate

C11H18N2O2S — CID 104589369

IUPACethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
SMILESCCCC(NCc1cncs1)C(=O)OCC
InChIInChI=1S/C11H18N2O2S/c1-3-5-10(11(14)15-4-2)13-7-9-6-12-8-16-9/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyCYFUEQMJQDYSNV-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.96
Rot. Bonds7

About ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate

ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate (PubChem CID 104589369) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
PubChem CID104589369
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nameethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate
SMILESCCCC(NCc1cncs1)C(=O)OCC
InChIInChI=1S/C11H18N2O2S/c1-3-5-10(11(14)15-4-2)13-7-9-6-12-8-16-9/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyCYFUEQMJQDYSNV-UHFFFAOYSA-N
XLogP1.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate?
The IUPAC name of ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate (CID 104589369) is ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate.
What is the SMILES notation for ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate?
The canonical SMILES for ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate is CCCC(NCc1cncs1)C(=O)OCC.
What is the InChIKey of ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate?
The InChIKey is CYFUEQMJQDYSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-5-10(11(14)15-4-2)13-7-9-6-12-8-16-9/h6,8,10,13H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate?
ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate has a molecular weight of 242.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-thiazol-5-ylmethylamino)pentanoate is sourced from PubChem (CID 104589369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).