(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone

C12H19N3OS — CID 82511876

IUPAC(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone
SMILESCCC(C)c1ncc(C(=O)N2CCNCC2)s1
InChIInChI=1S/C12H19N3OS/c1-3-9(2)11-14-8-10(17-11)12(16)15-6-4-13-5-7-15/h8-9,13H,3-7H2,1-2H3
InChIKeyFTODFPTXQTWTSF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.70
Rot. Bonds3

About (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone

(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone (PubChem CID 82511876) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone
PubChem CID82511876
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone
SMILESCCC(C)c1ncc(C(=O)N2CCNCC2)s1
InChIInChI=1S/C12H19N3OS/c1-3-9(2)11-14-8-10(17-11)12(16)15-6-4-13-5-7-15/h8-9,13H,3-7H2,1-2H3
InChIKeyFTODFPTXQTWTSF-UHFFFAOYSA-N
XLogP1.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone (CID 82511876) is (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone is CCC(C)c1ncc(C(=O)N2CCNCC2)s1.
What is the InChIKey of (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone?
The InChIKey is FTODFPTXQTWTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-9(2)11-14-8-10(17-11)12(16)15-6-4-13-5-7-15/h8-9,13H,3-7H2,1-2H3.
What are the key properties of (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone?
(2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone has a molecular weight of 253.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-1,3-thiazol-5-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82511876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).