5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one

C15H19N3OS — CID 3039603

IUPAC5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESCc1ccc(C2SC(N3CCN(C)CC3)=NC2=O)cc1
InChIInChI=1S/C15H19N3OS/c1-11-3-5-12(6-4-11)13-14(19)16-15(20-13)18-9-7-17(2)8-10-18/h3-6,13H,7-10H2,1-2H3
InChIKeyGTANYQDPWZGQNU-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.91
Rot. Bonds1

About 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one

5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one (PubChem CID 3039603) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
PubChem CID3039603
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESCc1ccc(C2SC(N3CCN(C)CC3)=NC2=O)cc1
InChIInChI=1S/C15H19N3OS/c1-11-3-5-12(6-4-11)13-14(19)16-15(20-13)18-9-7-17(2)8-10-18/h3-6,13H,7-10H2,1-2H3
InChIKeyGTANYQDPWZGQNU-UHFFFAOYSA-N
XLogP1.91
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one (CID 3039603) is 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one is Cc1ccc(C2SC(N3CCN(C)CC3)=NC2=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one?
The InChIKey is GTANYQDPWZGQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-3-5-12(6-4-11)13-14(19)16-15(20-13)18-9-7-17(2)8-10-18/h3-6,13H,7-10H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one?
5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one has a molecular weight of 289.40 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 3039603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).