(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine

C17H20N6S — CID 67209159

IUPAC(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine
SMILESC(=C1/CNCS1)\c1ccnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-2-5-19-16(3-1)22-7-9-23(10-8-22)17-20-6-4-14(21-17)11-15-12-18-13-24-15/h1-6,11,18H,7-10,12-13H2/b15-11-
InChIKeyLIPKMUXZGWZDTF-PTNGSMBKSA-N
MW340.46 g/mol
LogP1.83
Rot. Bonds3

About (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine

(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine (PubChem CID 67209159) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine.

Molecular Properties

Compound Name(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine
PubChem CID67209159
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine
SMILESC(=C1/CNCS1)\c1ccnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C17H20N6S/c1-2-5-19-16(3-1)22-7-9-23(10-8-22)17-20-6-4-14(21-17)11-15-12-18-13-24-15/h1-6,11,18H,7-10,12-13H2/b15-11-
InChIKeyLIPKMUXZGWZDTF-PTNGSMBKSA-N
XLogP1.83
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine with MolForge

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Related Compounds

[1-[4-[(Z)-1,3-thiazolidin-5-ylidenemethyl]pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 141310548
(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 58312796
(5E)-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310791
N-(2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898838
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
N-(2-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898840
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
N-(3,5-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310548
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-(4-pyridin-2-ylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]thiazin-6-one
CID 71005540
piperidin-1-yl-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109298462

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine?
The IUPAC name of (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine (CID 67209159) is (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine.
What is the SMILES notation for (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine?
The canonical SMILES for (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine is C(=C1/CNCS1)\c1ccnc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine?
The InChIKey is LIPKMUXZGWZDTF-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H20N6S/c1-2-5-19-16(3-1)22-7-9-23(10-8-22)17-20-6-4-14(21-17)11-15-12-18-13-24-15/h1-6,11,18H,7-10,12-13H2/b15-11-.
What are the key properties of (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine?
(5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine has a molecular weight of 340.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine is sourced from PubChem (CID 67209159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).