2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol

C18H20N4OS — CID 172913755

IUPAC2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESCCN1CCN(c2nc(O)c(/C=C3\C=Nc4ccccc43)s2)CC1
InChIInChI=1S/C18H20N4OS/c1-2-21-7-9-22(10-8-21)18-20-17(23)16(24-18)11-13-12-19-15-6-4-3-5-14(13)15/h3-6,11-12,23H,2,7-10H2,1H3/b13-11+
InChIKeyLYPONSJIETXIPB-ACCUITESSA-N
MW340.45 g/mol
LogP3.25
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol

2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 172913755) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
PubChem CID172913755
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
SMILESCCN1CCN(c2nc(O)c(/C=C3\C=Nc4ccccc43)s2)CC1
InChIInChI=1S/C18H20N4OS/c1-2-21-7-9-22(10-8-21)18-20-17(23)16(24-18)11-13-12-19-15-6-4-3-5-14(13)15/h3-6,11-12,23H,2,7-10H2,1H3/b13-11+
InChIKeyLYPONSJIETXIPB-ACCUITESSA-N
XLogP3.25
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 172913755) is 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is CCN1CCN(c2nc(O)c(/C=C3\C=Nc4ccccc43)s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
The InChIKey is LYPONSJIETXIPB-ACCUITESSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-21-7-9-22(10-8-21)18-20-17(23)16(24-18)11-13-12-19-15-6-4-3-5-14(13)15/h3-6,11-12,23H,2,7-10H2,1H3/b13-11+.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?
2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 340.45 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 172913755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).