5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione

C19H18N4OS2 — CID 164883551

IUPAC5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione
SMILESS=C1N=CC(=Cc2cccc(-c3cncc(OC4CCCNC4)n3)c2)S1
InChIInChI=1S/C19H18N4OS2/c25-19-22-10-16(26-19)8-13-3-1-4-14(7-13)17-11-21-12-18(23-17)24-15-5-2-6-20-9-15/h1,3-4,7-8,10-12,15,20H,2,5-6,9H2
InChIKeyBVUMNUZZAKAABE-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.72
Rot. Bonds4

About 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione

5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione (PubChem CID 164883551) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione
PubChem CID164883551
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione
SMILESS=C1N=CC(=Cc2cccc(-c3cncc(OC4CCCNC4)n3)c2)S1
InChIInChI=1S/C19H18N4OS2/c25-19-22-10-16(26-19)8-13-3-1-4-14(7-13)17-11-21-12-18(23-17)24-15-5-2-6-20-9-15/h1,3-4,7-8,10-12,15,20H,2,5-6,9H2
InChIKeyBVUMNUZZAKAABE-UHFFFAOYSA-N
XLogP3.72
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960084
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-pyridazin-3-yl-1H-indazole
CID 67960106
5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960019
5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959597
5-(5-fluoro-3-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960267
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-indazole
CID 67959774
2-methyl-6-[(3R)-piperidin-3-yl]oxypyridine
CID 94407048
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678
5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
CID 86709771
2-[(3R)-piperidin-3-yl]oxypyrazine
CID 71637336
2-chloro-6-pyrrolidin-3-yloxypyrazine;hydrochloride
CID 56831272
4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586399

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione?
The IUPAC name of 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione (CID 164883551) is 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione?
The canonical SMILES for 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione is S=C1N=CC(=Cc2cccc(-c3cncc(OC4CCCNC4)n3)c2)S1.
What is the InChIKey of 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione?
The InChIKey is BVUMNUZZAKAABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c25-19-22-10-16(26-19)8-13-3-1-4-14(7-13)17-11-21-12-18(23-17)24-15-5-2-6-20-9-15/h1,3-4,7-8,10-12,15,20H,2,5-6,9H2.
What are the key properties of 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione?
5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione has a molecular weight of 382.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(6-piperidin-3-yloxypyrazin-2-yl)phenyl]methylidene]-1,3-thiazole-2-thione is sourced from PubChem (CID 164883551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).