ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate

C13H21N3O2S — CID 57019222

IUPACethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NCCN2CCCCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-2-18-12(17)11-10-19-13(15-11)14-6-9-16-7-4-3-5-8-16/h10H,2-9H2,1H3,(H,14,15)
InChIKeyQSYHVVRXYWXKHF-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.22
Rot. Bonds6

About ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 57019222) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
PubChem CID57019222
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NCCN2CCCCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-2-18-12(17)11-10-19-13(15-11)14-6-9-16-7-4-3-5-8-16/h10H,2-9H2,1H3,(H,14,15)
InChIKeyQSYHVVRXYWXKHF-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate (CID 57019222) is ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NCCN2CCCCC2)n1.
What is the InChIKey of ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is QSYHVVRXYWXKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-18-12(17)11-10-19-13(15-11)14-6-9-16-7-4-3-5-8-16/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-piperidin-1-ylethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 57019222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).