ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H24N4O3S — CID 6464413

IUPACethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCN(CC)CC2)n1
InChIInChI=1S/C15H24N4O3S/c1-3-18-5-7-19(8-6-18)10-13(20)17-15-16-12(11-23-15)9-14(21)22-4-2/h11H,3-10H2,1-2H3,(H,16,17,20)
InChIKeyITQURURSTPPLCD-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.82
Rot. Bonds7

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

ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 6464413) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID6464413
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Nameethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCN(CC)CC2)n1
InChIInChI=1S/C15H24N4O3S/c1-3-18-5-7-19(8-6-18)10-13(20)17-15-16-12(11-23-15)9-14(21)22-4-2/h11H,3-10H2,1-2H3,(H,16,17,20)
InChIKeyITQURURSTPPLCD-UHFFFAOYSA-N
XLogP0.82
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 6464413) is ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2CCN(CC)CC2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ITQURURSTPPLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-3-18-5-7-19(8-6-18)10-13(20)17-15-16-12(11-23-15)9-14(21)22-4-2/h11H,3-10H2,1-2H3,(H,16,17,20).
What are the key properties of ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 340.45 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 6464413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).