tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate

C14H21N3O3S — CID 22321788

IUPACtert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)c2nccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-7-5-16(6-8-17)10-11(18)12-15-4-9-21-12/h4,9H,5-8,10H2,1-3H3
InChIKeyOUQKFIULQQZIOE-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate (PubChem CID 22321788) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
PubChem CID22321788
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nametert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)c2nccs2)CC1
InChIInChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-7-5-16(6-8-17)10-11(18)12-15-4-9-21-12/h4,9H,5-8,10H2,1-3H3
InChIKeyOUQKFIULQQZIOE-UHFFFAOYSA-N
XLogP1.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate (CID 22321788) is tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(=O)c2nccs2)CC1.
What is the InChIKey of tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is OUQKFIULQQZIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(2,3)20-13(19)17-7-5-16(6-8-17)10-11(18)12-15-4-9-21-12/h4,9H,5-8,10H2,1-3H3.
What are the key properties of tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 22321788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).