2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole

C13H21N3S — CID 64942156

IUPAC2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CNC(C2CC2)CN1CCc1nccs1
InChIInChI=1S/C13H21N3S/c1-10-8-15-12(11-2-3-11)9-16(10)6-4-13-14-5-7-17-13/h5,7,10-12,15H,2-4,6,8-9H2,1H3
InChIKeyNAYWKAQWEZCJPY-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.76
Rot. Bonds4

About 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole

2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64942156) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64942156
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CNC(C2CC2)CN1CCc1nccs1
InChIInChI=1S/C13H21N3S/c1-10-8-15-12(11-2-3-11)9-16(10)6-4-13-14-5-7-17-13/h5,7,10-12,15H,2-4,6,8-9H2,1H3
InChIKeyNAYWKAQWEZCJPY-UHFFFAOYSA-N
XLogP1.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64942156) is 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole is CC1CNC(C2CC2)CN1CCc1nccs1.
What is the InChIKey of 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is NAYWKAQWEZCJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-8-15-12(11-2-3-11)9-16(10)6-4-13-14-5-7-17-13/h5,7,10-12,15H,2-4,6,8-9H2,1H3.
What are the key properties of 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64942156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).