5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one

C22H25N3OS — CID 4105679

IUPAC5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
SMILESCc1ccc(CC2SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1
InChIInChI=1S/C22H25N3OS/c1-16-7-9-18(10-8-16)15-20-21(26)23-22(27-20)25-13-11-24(12-14-25)19-6-4-3-5-17(19)2/h3-10,20H,11-15H2,1-2H3
InChIKeyLDTRIHFEIKUUCM-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.67
Rot. Bonds3

About 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one

5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one (PubChem CID 4105679) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
PubChem CID4105679
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
SMILESCc1ccc(CC2SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1
InChIInChI=1S/C22H25N3OS/c1-16-7-9-18(10-8-16)15-20-21(26)23-22(27-20)25-13-11-24(12-14-25)19-6-4-3-5-17(19)2/h3-10,20H,11-15H2,1-2H3
InChIKeyLDTRIHFEIKUUCM-UHFFFAOYSA-N
XLogP3.67
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
(5S)-5-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 9225091
5-[(4-chlorophenyl)methylidene]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
CID 1279353
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182
3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
CID 10664387
(2S)-2-[(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 947701
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one?
The IUPAC name of 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one (CID 4105679) is 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one is Cc1ccc(CC2SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one?
The InChIKey is LDTRIHFEIKUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-16-7-9-18(10-8-16)15-20-21(26)23-22(27-20)25-13-11-24(12-14-25)19-6-4-3-5-17(19)2/h3-10,20H,11-15H2,1-2H3.
What are the key properties of 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one?
5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one has a molecular weight of 379.53 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one is sourced from PubChem (CID 4105679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).