[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride

C15H18Cl3N3O2S — CID 119287852

IUPAC[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C15H17Cl2N3O2S.ClH/c16-11-3-1-2-10(13(11)17)14(21)19-4-6-20(7-5-19)15(22)12-8-23-9-18-12;/h1-3,12,18H,4-9H2;1H
InChIKeyIJIVUBXNWNDOTF-UHFFFAOYSA-N
MW410.75 g/mol
LogP2.36
Rot. Bonds2

About [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (PubChem CID 119287852) has the molecular formula C15H18Cl3N3O2S and a molecular weight of 410.75 g/mol. Its IUPAC name is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
PubChem CID119287852
Molecular FormulaC15H18Cl3N3O2S
Molecular Weight410.75 g/mol
Exact Mass409.02
IUPAC Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCl.O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C15H17Cl2N3O2S.ClH/c16-11-3-1-2-10(13(11)17)14(21)19-4-6-20(7-5-19)15(22)12-8-23-9-18-12;/h1-3,12,18H,4-9H2;1H
InChIKeyIJIVUBXNWNDOTF-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
[4-(3-chlorophenyl)piperazin-1-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone;dihydrochloride
CID 86814012
[4-(4-chlorophenyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119843595
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974959
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
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-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110808440
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (CID 119287852) is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is Cl.O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The InChIKey is IJIVUBXNWNDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2S.ClH/c16-11-3-1-2-10(13(11)17)14(21)19-4-6-20(7-5-19)15(22)12-8-23-9-18-12;/h1-3,12,18H,4-9H2;1H.
What are the key properties of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride has a molecular weight of 410.75 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119287852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).