[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride

C14H20Cl3N3OS — CID 86814012

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@H]1CSCN1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3OS.2ClH/c15-11-2-1-3-12(8-11)17-4-6-18(7-5-17)14(19)13-9-20-10-16-13;;/h1-3,8,13,16H,4-7,9-10H2;2*1H/t13-;;/m1../s1
InChIKeyXUYRPGUTRDWOCA-FFXKMJQXSA-N
MW384.76 g/mol
LogP2.49
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride

[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride (PubChem CID 86814012) has the molecular formula C14H20Cl3N3OS and a molecular weight of 384.76 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride
PubChem CID86814012
Molecular FormulaC14H20Cl3N3OS
Molecular Weight384.76 g/mol
Exact Mass383.04
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C([C@H]1CSCN1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3OS.2ClH/c15-11-2-1-3-12(8-11)17-4-6-18(7-5-17)14(19)13-9-20-10-16-13;;/h1-3,8,13,16H,4-7,9-10H2;2*1H/t13-;;/m1../s1
InChIKeyXUYRPGUTRDWOCA-FFXKMJQXSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.76
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119843595
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119287852
N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812149
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-(thian-2-yl)methanone
CID 110854479
(4-chlorophenyl)-[1-(1,3-thiazolidine-4-carbonyl)piperidin-4-yl]methanone
CID 119289949
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride (CID 86814012) is [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride is Cl.Cl.O=C([C@H]1CSCN1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride?
The InChIKey is XUYRPGUTRDWOCA-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H18ClN3OS.2ClH/c15-11-2-1-3-12(8-11)17-4-6-18(7-5-17)14(19)13-9-20-10-16-13;;/h1-3,8,13,16H,4-7,9-10H2;2*1H/t13-;;/m1../s1.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride?
[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride has a molecular weight of 384.76 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride is sourced from PubChem (CID 86814012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).