ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate

C11H17N3O2S — CID 28880348

IUPACethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-16-10(15)9-13-4-6-14(7-5-13)11-12-3-8-17-11/h3,8H,2,4-7,9H2,1H3
InChIKeySCQOEHBEOBGCEQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.83
Rot. Bonds4

About ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate

ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate (PubChem CID 28880348) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
PubChem CID28880348
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Nameethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-16-10(15)9-13-4-6-14(7-5-13)11-12-3-8-17-11/h3,8H,2,4-7,9H2,1H3
InChIKeySCQOEHBEOBGCEQ-UHFFFAOYSA-N
XLogP0.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1948390
N-2-Thiazolyl-4-morpholineacetamide
CID 687268
4-(Thiazol-2-ylcarbamoylmethyl)-piperazine-1-carboxylic acid ethyl ester
CID 6498214
3-Azapentanedioic acid, 3-(2-thiazolyl)-
CID 3115033
4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
Methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
CID 28880817
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
Ethyl 2-(2-amino-1,3-thiazol-3-ium-3-yl)acetate bromide
CID 15685236
2-(2,6-dimethylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 6466392
2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53530005
2-morpholin-4-yl-N-(1,3-thiazol-2-yl)-2-thioxoacetamide
CID 717389
1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 2088725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate (CID 28880348) is ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2nccs2)CC1.
What is the InChIKey of ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
The InChIKey is SCQOEHBEOBGCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-16-10(15)9-13-4-6-14(7-5-13)11-12-3-8-17-11/h3,8H,2,4-7,9H2,1H3.
What are the key properties of ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate?
ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate has a molecular weight of 255.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 28880348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).