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

C14H20Cl3N3OS — CID 119843595

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CSCN1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3OS.2ClH/c15-11-1-3-12(4-2-11)17-5-7-18(8-6-17)14(19)13-9-20-10-16-13;;/h1-4,13,16H,5-10H2;2*1H
InChIKeyNRGXGSAFQBTDNV-UHFFFAOYSA-N
MW384.76 g/mol
LogP2.49
Rot. Bonds2

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

[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride (PubChem CID 119843595) has the molecular formula C14H20Cl3N3OS and a molecular weight of 384.76 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
PubChem CID119843595
Molecular FormulaC14H20Cl3N3OS
Molecular Weight384.76 g/mol
Exact Mass383.04
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CSCN1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3OS.2ClH/c15-11-1-3-12(4-2-11)17-5-7-18(8-6-17)14(19)13-9-20-10-16-13;;/h1-4,13,16H,5-10H2;2*1H
InChIKeyNRGXGSAFQBTDNV-UHFFFAOYSA-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

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride
CID 86814012
N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812149
(4-chlorophenyl)-[1-(1,3-thiazolidine-4-carbonyl)piperidin-4-yl]methanone
CID 119289949
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119287852
1-[3-fluoro-4-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 119837015
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60936897
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110741651
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride (CID 119843595) is [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CSCN1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
The InChIKey is NRGXGSAFQBTDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS.2ClH/c15-11-1-3-12(4-2-11)17-5-7-18(8-6-17)14(19)13-9-20-10-16-13;;/h1-4,13,16H,5-10H2;2*1H.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride?
[4-(4-chlorophenyl)piperazin-1-yl]-(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-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119843595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).