1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

C12H19N3OS — CID 75500701

IUPAC1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cncs2)C(C)(C)C1
InChIInChI=1S/C12H19N3OS/c1-10(16)14-4-5-15(12(2,3)8-14)7-11-6-13-9-17-11/h6,9H,4-5,7-8H2,1-3H3
InChIKeyLWJQHKZYZMWXDS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.59
Rot. Bonds2

About 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone

1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 75500701) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
PubChem CID75500701
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cncs2)C(C)(C)C1
InChIInChI=1S/C12H19N3OS/c1-10(16)14-4-5-15(12(2,3)8-14)7-11-6-13-9-17-11/h6,9H,4-5,7-8H2,1-3H3
InChIKeyLWJQHKZYZMWXDS-UHFFFAOYSA-N
XLogP1.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone (CID 75500701) is 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cncs2)C(C)(C)C1.
What is the InChIKey of 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is LWJQHKZYZMWXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(16)14-4-5-15(12(2,3)8-14)7-11-6-13-9-17-11/h6,9H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone?
1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 253.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75500701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).