ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate

C14H18N4O3S — CID 35508703

IUPACethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C14H18N4O3S/c1-2-21-14(20)17-5-3-16(4-6-17)12(19)9-11-10-18-7-8-22-13(18)15-11/h7-8,10H,2-6,9H2,1H3
InChIKeyHEUONBVTUKWWJA-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.24
Rot. Bonds3

About ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate

ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate (PubChem CID 35508703) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
PubChem CID35508703
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Nameethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C14H18N4O3S/c1-2-21-14(20)17-5-3-16(4-6-17)12(19)9-11-10-18-7-8-22-13(18)15-11/h7-8,10H,2-6,9H2,1H3
InChIKeyHEUONBVTUKWWJA-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate (CID 35508703) is ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
The InChIKey is HEUONBVTUKWWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-21-14(20)17-5-3-16(4-6-17)12(19)9-11-10-18-7-8-22-13(18)15-11/h7-8,10H,2-6,9H2,1H3.
What are the key properties of ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate?
ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 35508703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).