1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone

C20H21N3OS2 — CID 51111072

IUPAC1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
SMILESCN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)C(c2ccccc2)C1
InChIInChI=1S/C20H21N3OS2/c1-22-8-9-23(18(12-22)15-5-3-2-4-6-15)19(24)11-17-14-26-20(21-17)16-7-10-25-13-16/h2-7,10,13-14,18H,8-9,11-12H2,1H3
InChIKeyMPGDPFPVKFPQOX-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone

1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 51111072) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID51111072
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
SMILESCN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)C(c2ccccc2)C1
InChIInChI=1S/C20H21N3OS2/c1-22-8-9-23(18(12-22)15-5-3-2-4-6-15)19(24)11-17-14-26-20(21-17)16-7-10-25-13-16/h2-7,10,13-14,18H,8-9,11-12H2,1H3
InChIKeyMPGDPFPVKFPQOX-UHFFFAOYSA-N
XLogP3.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone (CID 51111072) is 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone is CN1CCN(C(=O)Cc2csc(-c3ccsc3)n2)C(c2ccccc2)C1.
What is the InChIKey of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is MPGDPFPVKFPQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-22-8-9-23(18(12-22)15-5-3-2-4-6-15)19(24)11-17-14-26-20(21-17)16-7-10-25-13-16/h2-7,10,13-14,18H,8-9,11-12H2,1H3.
What are the key properties of 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone?
1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 383.54 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpiperazin-1-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 51111072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).