4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one

C17H22N2O2S2 — CID 14648423

IUPAC4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESO=C([C@@H]1CSCN1C(=O)CCCc1ccccc1)N1CCSC1
InChIInChI=1S/C17H22N2O2S2/c20-16(8-4-7-14-5-2-1-3-6-14)19-13-23-11-15(19)17(21)18-9-10-22-12-18/h1-3,5-6,15H,4,7-13H2/t15-/m0/s1
InChIKeyDFGMSTJIQPZDCK-HNNXBMFYSA-N
MW350.51 g/mol
LogP2.44
Rot. Bonds5

About 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one

4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one (PubChem CID 14648423) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
PubChem CID14648423
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESO=C([C@@H]1CSCN1C(=O)CCCc1ccccc1)N1CCSC1
InChIInChI=1S/C17H22N2O2S2/c20-16(8-4-7-14-5-2-1-3-6-14)19-13-23-11-15(19)17(21)18-9-10-22-12-18/h1-3,5-6,15H,4,7-13H2/t15-/m0/s1
InChIKeyDFGMSTJIQPZDCK-HNNXBMFYSA-N
XLogP2.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3aS,7aS)-2-(1,3-thiazolidine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 9929984
Kyp-2047
CID 11198569
Z-321
CID 9798234
N-(N-(Phenyl)butyryl-L-prolyl)pyrrolidine
CID 3081017
Glycylalanylprolylmethionylphenylalanylvalinamide
CID 44208910
Penicillin deriv. 26
CID 454959
(2S,3S)-2-amino-3-phenyl-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 23645582
(2S)-1-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carbonitrile
CID 10339938
(2S)-1-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carbaldehyde
CID 10340135
(S)-1-[(R)-3-(2-Indan-2-yl-acetyl)-thiazolidine-4-carbonyl]-pyrrolidine-2-carbaldehyde
CID 10406969
(4R)-3-[(4R)-3-[2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]-1,3-thiazolidine-4-carbonyl]-1,3-thiazolidine-4-carbaldehyde
CID 10453899
((1R,2S)-2-Phenyl-cyclopropyl)-[(2S,3aS,7aS)-2-(thiazolidine-3-carbonyl)-octahydro-indol-1-yl]-methanone
CID 44316453

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one (CID 14648423) is 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one is O=C([C@@H]1CSCN1C(=O)CCCc1ccccc1)N1CCSC1.
What is the InChIKey of 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The InChIKey is DFGMSTJIQPZDCK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c20-16(8-4-7-14-5-2-1-3-6-14)19-13-23-11-15(19)17(21)18-9-10-22-12-18/h1-3,5-6,15H,4,7-13H2/t15-/m0/s1.
What are the key properties of 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one has a molecular weight of 350.51 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(4R)-4-(1,3-thiazolidine-3-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one is sourced from PubChem (CID 14648423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).