2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C12H20N4S — CID 58459811

IUPAC2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C12H20N4S/c1-2-15-5-7-16(8-6-15)12-14-10-3-4-13-9-11(10)17-12/h13H,2-9H2,1H3
InChIKeyWUBKVYZUUOEXNN-UHFFFAOYSA-N
MW252.39 g/mol
LogP0.93
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 58459811) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID58459811
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C12H20N4S/c1-2-15-5-7-16(8-6-15)12-14-10-3-4-13-9-11(10)17-12/h13H,2-9H2,1H3
InChIKeyWUBKVYZUUOEXNN-UHFFFAOYSA-N
XLogP0.93
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 58459811) is 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CCN1CCN(c2nc3c(s2)CNCC3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WUBKVYZUUOEXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-15-5-7-16(8-6-15)12-14-10-3-4-13-9-11(10)17-12/h13H,2-9H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 252.39 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 58459811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).