2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone

C16H19N3OS — CID 62757081

IUPAC2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCN1CCN(c2nc(CC(=O)c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3OS/c1-18-7-9-19(10-8-18)16-17-14(12-21-16)11-15(20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyUVJAWUIGEXLEKA-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 62757081) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID62757081
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCN1CCN(c2nc(CC(=O)c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3OS/c1-18-7-9-19(10-8-18)16-17-14(12-21-16)11-15(20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyUVJAWUIGEXLEKA-UHFFFAOYSA-N
XLogP2.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone (CID 62757081) is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone is CN1CCN(c2nc(CC(=O)c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is UVJAWUIGEXLEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18-7-9-19(10-8-18)16-17-14(12-21-16)11-15(20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 301.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 62757081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).