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

C14H24N4S — CID 175980414

IUPAC2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILES[2H]N1CCN(c2nc3c(s2)CNCC3)CC1CCCC
InChIInChI=1S/C14H24N4S/c1-2-3-4-11-10-18(8-7-16-11)14-17-12-5-6-15-9-13(12)19-14/h11,15-16H,2-10H2,1H3/i/hD
InChIKeyMGJPFTVPSIJXKG-DYCDLGHISA-N
MW281.45 g/mol
LogP1.76
Rot. Bonds4

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

2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 175980414) has the molecular formula C14H24N4S and a molecular weight of 281.45 g/mol. Its IUPAC name is 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID175980414
Molecular FormulaC14H24N4S
Molecular Weight281.45 g/mol
Exact Mass281.18
IUPAC Name2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILES[2H]N1CCN(c2nc3c(s2)CNCC3)CC1CCCC
InChIInChI=1S/C14H24N4S/c1-2-3-4-11-10-18(8-7-16-11)14-17-12-5-6-15-9-13(12)19-14/h11,15-16H,2-10H2,1H3/i/hD
InChIKeyMGJPFTVPSIJXKG-DYCDLGHISA-N
XLogP1.76
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 175980414) is 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is [2H]N1CCN(c2nc3c(s2)CNCC3)CC1CCCC.
What is the InChIKey of 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is MGJPFTVPSIJXKG-DYCDLGHISA-N. The full InChI is InChI=1S/C14H24N4S/c1-2-3-4-11-10-18(8-7-16-11)14-17-12-5-6-15-9-13(12)19-14/h11,15-16H,2-10H2,1H3/i/hD.
What are the key properties of 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 281.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-deuteriopiperazin-1-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 175980414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).