3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C44H46N6O2S2 — CID 158686167

IUPAC3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2nccs2)CC1c1ccccc1.O=C(CCc1ccccc1)N1CCN(c2nccs2)CC1c1ccccc1
InChIInChI=1S/2C22H23N3OS/c2*26-21(12-11-18-7-3-1-4-8-18)25-15-14-24(22-23-13-16-27-22)17-20(25)19-9-5-2-6-10-19/h2*1-10,13,16,20H,11-12,14-15,17H2
InChIKeyIFTMPUKVIMTADY-UHFFFAOYSA-N
MW755.03 g/mol
LogP8.33
Rot. Bonds10

About 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 158686167) has the molecular formula C44H46N6O2S2 and a molecular weight of 755.03 g/mol. Its IUPAC name is 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID158686167
Molecular FormulaC44H46N6O2S2
Molecular Weight755.03 g/mol
Exact Mass754.31
IUPAC Name3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2nccs2)CC1c1ccccc1.O=C(CCc1ccccc1)N1CCN(c2nccs2)CC1c1ccccc1
InChIInChI=1S/2C22H23N3OS/c2*26-21(12-11-18-7-3-1-4-8-18)25-15-14-24(22-23-13-16-27-22)17-20(25)19-9-5-2-6-10-19/h2*1-10,13,16,20H,11-12,14-15,17H2
InChIKeyIFTMPUKVIMTADY-UHFFFAOYSA-N
XLogP8.33
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.03
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-tert-butyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 157356546
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 94599269
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
3-pyridin-3-yl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 158724204
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
1-[2-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 11587661
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 25493290
4-phenyl-5-(3-phenylpropanoyl)-1,5-diazacycloundecan-2-one
CID 110202198
2-phenyl-N-[(3S)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanesulfonamide
CID 99875511

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 158686167) is 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCN(c2nccs2)CC1c1ccccc1.O=C(CCc1ccccc1)N1CCN(c2nccs2)CC1c1ccccc1.
What is the InChIKey of 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is IFTMPUKVIMTADY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23N3OS/c2*26-21(12-11-18-7-3-1-4-8-18)25-15-14-24(22-23-13-16-27-22)17-20(25)19-9-5-2-6-10-19/h2*1-10,13,16,20H,11-12,14-15,17H2.
What are the key properties of 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 755.03 g/mol, XLogP of 8.33, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[2-phenyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 158686167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).