2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol

C23H28N2OS — CID 157309570

IUPAC2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
SMILESCc1ccc2c(c1)/C(=C\CCN1CCN(CCO)CC1)c1ccccc1S2
InChIInChI=1S/C23H28N2OS/c1-18-8-9-23-21(17-18)19(20-5-2-3-7-22(20)27-23)6-4-10-24-11-13-25(14-12-24)15-16-26/h2-3,5-9,17,26H,4,10-16H2,1H3/b19-6-
InChIKeyBCWNYXJFGRPZAB-SWNXQHNESA-N
MW380.56 g/mol
LogP3.89
Rot. Bonds5

About 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol

2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol (PubChem CID 157309570) has the molecular formula C23H28N2OS and a molecular weight of 380.56 g/mol. Its IUPAC name is 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
PubChem CID157309570
Molecular FormulaC23H28N2OS
Molecular Weight380.56 g/mol
Exact Mass380.19
IUPAC Name2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
SMILESCc1ccc2c(c1)/C(=C\CCN1CCN(CCO)CC1)c1ccccc1S2
InChIInChI=1S/C23H28N2OS/c1-18-8-9-23-21(17-18)19(20-5-2-3-7-22(20)27-23)6-4-10-24-11-13-25(14-12-24)15-16-26/h2-3,5-9,17,26H,4,10-16H2,1H3/b19-6-
InChIKeyBCWNYXJFGRPZAB-SWNXQHNESA-N
XLogP3.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Analyze 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3E)-3-(2-iodothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
CID 20839001
2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;tetrahydrochloride
CID 67461195
2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
CID 17012
(9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
CID 6445192
4-chlorobenzoic acid;2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;hydrochloride
CID 69286362
methyl 3-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]propanoate;dihydrochloride
CID 6446672
2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanamine
CID 130229299
2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanamine
CID 130229298
1-(2-bromoethyl)-4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazine
CID 5053540
triethyl-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]azanium
CID 59429286
2-[4-(3-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
CID 3055927
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol (CID 157309570) is 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol is Cc1ccc2c(c1)/C(=C\CCN1CCN(CCO)CC1)c1ccccc1S2.
What is the InChIKey of 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol?
The InChIKey is BCWNYXJFGRPZAB-SWNXQHNESA-N. The full InChI is InChI=1S/C23H28N2OS/c1-18-8-9-23-21(17-18)19(20-5-2-3-7-22(20)27-23)6-4-10-24-11-13-25(14-12-24)15-16-26/h2-3,5-9,17,26H,4,10-16H2,1H3/b19-6-.
What are the key properties of 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol?
2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol has a molecular weight of 380.56 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3Z)-3-(2-methylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 157309570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).