4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one

C12H19N3OS — CID 36925170

IUPAC4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one
SMILESCC(C)(C)c1nc(CN2CCNC(=O)C2)cs1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)11-14-9(8-17-11)6-15-5-4-13-10(16)7-15/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyZQFQMTKGPDDNOZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.37
Rot. Bonds2

About 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one

4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one (PubChem CID 36925170) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one
PubChem CID36925170
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one
SMILESCC(C)(C)c1nc(CN2CCNC(=O)C2)cs1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)11-14-9(8-17-11)6-15-5-4-13-10(16)7-15/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyZQFQMTKGPDDNOZ-UHFFFAOYSA-N
XLogP1.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one (CID 36925170) is 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one is CC(C)(C)c1nc(CN2CCNC(=O)C2)cs1.
What is the InChIKey of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
The InChIKey is ZQFQMTKGPDDNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2,3)11-14-9(8-17-11)6-15-5-4-13-10(16)7-15/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one?
4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 36925170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).