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

C11H18N4S — CID 91064014

IUPAC2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C11H18N4S/c1-14-4-6-15(7-5-14)11-13-9-2-3-12-8-10(9)16-11/h12H,2-8H2,1H3
InChIKeyLRENKMBQEYRQNK-UHFFFAOYSA-N
MW238.36 g/mol
LogP0.54
Rot. Bonds1

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

2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 91064014) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID91064014
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCN1CCN(c2nc3c(s2)CNCC3)CC1
InChIInChI=1S/C11H18N4S/c1-14-4-6-15(7-5-14)11-13-9-2-3-12-8-10(9)16-11/h12H,2-8H2,1H3
InChIKeyLRENKMBQEYRQNK-UHFFFAOYSA-N
XLogP0.54
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 91064014) is 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CN1CCN(c2nc3c(s2)CNCC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is LRENKMBQEYRQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-14-4-6-15(7-5-14)11-13-9-2-3-12-8-10(9)16-11/h12H,2-8H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 238.36 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 91064014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).