ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate

C14H21N3O3S — CID 6468523

IUPACethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-2-20-13(19)8-11-10-21-14(15-11)16-12(18)9-17-6-4-3-5-7-17/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyJSRFOUZYTVGEDD-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.67
Rot. Bonds6

About ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 6468523) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID6468523
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCCCC2)n1
InChIInChI=1S/C14H21N3O3S/c1-2-20-13(19)8-11-10-21-14(15-11)16-12(18)9-17-6-4-3-5-7-17/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyJSRFOUZYTVGEDD-UHFFFAOYSA-N
XLogP1.67
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 6468523) is ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2CCCCC2)n1.
What is the InChIKey of ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JSRFOUZYTVGEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-20-13(19)8-11-10-21-14(15-11)16-12(18)9-17-6-4-3-5-7-17/h10H,2-9H2,1H3,(H,15,16,18).
What are the key properties of ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 311.41 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 6468523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).