4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

C17H27ClN4O3S — CID 119448189

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C17H26N4O3S.ClH/c1-14-13-15(21-8-2-12-25(21,23)24)3-4-16(14)17(22)19-7-11-20-9-5-18-6-10-20;/h3-4,13,18H,2,5-12H2,1H3,(H,19,22);1H
InChIKeyZSVIWBNCYBDJIV-UHFFFAOYSA-N
MW402.95 g/mol
LogP0.59
Rot. Bonds5

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 119448189) has the molecular formula C17H27ClN4O3S and a molecular weight of 402.95 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID119448189
Molecular FormulaC17H27ClN4O3S
Molecular Weight402.95 g/mol
Exact Mass402.15
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCCN1CCNCC1.Cl
InChIInChI=1S/C17H26N4O3S.ClH/c1-14-13-15(21-8-2-12-25(21,23)24)3-4-16(14)17(22)19-7-11-20-9-5-18-6-10-20;/h3-4,13,18H,2,5-12H2,1H3,(H,19,22);1H
InChIKeyZSVIWBNCYBDJIV-UHFFFAOYSA-N
XLogP0.59
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537013
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825539
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601464
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-2-methylbenzamide
CID 154743912
(2S)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]propanoic acid
CID 119942706
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanone
CID 120657274
(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-3-methylbutanoic acid
CID 119368089
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040
2-methyl-N-(3-piperazin-1-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 119394617
2-[4-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698240
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 139003731

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 119448189) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NCCN1CCNCC1.Cl.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is ZSVIWBNCYBDJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S.ClH/c1-14-13-15(21-8-2-12-25(21,23)24)3-4-16(14)17(22)19-7-11-20-9-5-18-6-10-20;/h3-4,13,18H,2,5-12H2,1H3,(H,19,22);1H.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119448189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).