1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

C22H24ClN3O2S — CID 1098245

IUPAC1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2S/c1-16(27)26-20(15-29-22(26)17-7-9-18(23)10-8-17)21(28)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,20,22H,11-15H2,1H3/t20-,22-/m0/s1
InChIKeyLXSHMVZWNQKNGG-UNMCSNQZSA-N
MW429.97 g/mol
LogP3.65
Rot. Bonds3

About 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 1098245) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID1098245
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC Name1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2S/c1-16(27)26-20(15-29-22(26)17-7-9-18(23)10-8-17)21(28)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,20,22H,11-15H2,1H3/t20-,22-/m0/s1
InChIKeyLXSHMVZWNQKNGG-UNMCSNQZSA-N
XLogP3.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone with MolForge

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Related Compounds

3-acetyl-2-(2-deuteriophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 139903120
[2-(4-chlorophenyl)cyclopropyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 18613656
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
(1R,2R,3S,4R)-3-[4-(4-chlorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100706183
[4-(4-chlorophenyl)piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 110281486
cis-(1R,2S)-2-[4-(4-chlorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 7308003
4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085061
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 4984401
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (CID 1098245) is 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1[C@H](C(=O)N2CCN(c3ccccc3)CC2)CS[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is LXSHMVZWNQKNGG-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-16(27)26-20(15-29-22(26)17-7-9-18(23)10-8-17)21(28)25-13-11-24(12-14-25)19-5-3-2-4-6-19/h2-10,20,22H,11-15H2,1H3/t20-,22-/m0/s1.
What are the key properties of 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 429.97 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-(4-chlorophenyl)-4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 1098245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).