3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

C12H17N3O2S — CID 112645022

IUPAC3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(Cc2cncs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-11(2)10(17)15(6-8-5-13-7-18-8)12(3,4)9(16)14-11/h5,7H,6H2,1-4H3,(H,14,16)
InChIKeyTZGMIEXGLJUAGP-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.16
Rot. Bonds2

About 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 112645022) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID112645022
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C)(C)N(Cc2cncs2)C1=O
InChIInChI=1S/C12H17N3O2S/c1-11(2)10(17)15(6-8-5-13-7-18-8)12(3,4)9(16)14-11/h5,7H,6H2,1-4H3,(H,14,16)
InChIKeyTZGMIEXGLJUAGP-UHFFFAOYSA-N
XLogP1.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (CID 112645022) is 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is CC1(C)NC(=O)C(C)(C)N(Cc2cncs2)C1=O.
What is the InChIKey of 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is TZGMIEXGLJUAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-11(2)10(17)15(6-8-5-13-7-18-8)12(3,4)9(16)14-11/h5,7H,6H2,1-4H3,(H,14,16).
What are the key properties of 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 267.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 112645022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).