ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate

C16H27N3O3S — CID 58804970

IUPACethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CN2CCCCC2)nc1NCCCOC
InChIInChI=1S/C16H27N3O3S/c1-3-22-16(20)14-15(17-8-7-11-21-2)18-13(23-14)12-19-9-5-4-6-10-19/h17H,3-12H2,1-2H3
InChIKeyONONKSQBGPKUFK-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.75
Rot. Bonds9

About ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate

ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate (PubChem CID 58804970) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate
PubChem CID58804970
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Nameethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(CN2CCCCC2)nc1NCCCOC
InChIInChI=1S/C16H27N3O3S/c1-3-22-16(20)14-15(17-8-7-11-21-2)18-13(23-14)12-19-9-5-4-6-10-19/h17H,3-12H2,1-2H3
InChIKeyONONKSQBGPKUFK-UHFFFAOYSA-N
XLogP2.75
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate (CID 58804970) is ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(CN2CCCCC2)nc1NCCCOC.
What is the InChIKey of ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is ONONKSQBGPKUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-3-22-16(20)14-15(17-8-7-11-21-2)18-13(23-14)12-19-9-5-4-6-10-19/h17H,3-12H2,1-2H3.
What are the key properties of ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate?
ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 341.48 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58804970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).