ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate

C16H26N2O2S — CID 75372911

IUPACethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCCC(c2ncc(C)s2)C1
InChIInChI=1S/C16H26N2O2S/c1-3-20-15(19)8-4-5-9-18-10-6-7-14(12-18)16-17-11-13(2)21-16/h11,14H,3-10,12H2,1-2H3
InChIKeyYXTIIJNRCJDGGO-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.36
Rot. Bonds7

About ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate

ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate (PubChem CID 75372911) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate
PubChem CID75372911
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Nameethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCCC(c2ncc(C)s2)C1
InChIInChI=1S/C16H26N2O2S/c1-3-20-15(19)8-4-5-9-18-10-6-7-14(12-18)16-17-11-13(2)21-16/h11,14H,3-10,12H2,1-2H3
InChIKeyYXTIIJNRCJDGGO-UHFFFAOYSA-N
XLogP3.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate?
The IUPAC name of ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate (CID 75372911) is ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate.
What is the SMILES notation for ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate?
The canonical SMILES for ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate is CCOC(=O)CCCCN1CCCC(c2ncc(C)s2)C1.
What is the InChIKey of ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate?
The InChIKey is YXTIIJNRCJDGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-20-15(19)8-4-5-9-18-10-6-7-14(12-18)16-17-11-13(2)21-16/h11,14H,3-10,12H2,1-2H3.
What are the key properties of ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate?
ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate has a molecular weight of 310.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]pentanoate is sourced from PubChem (CID 75372911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).