2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole

C12H21N3S — CID 64946674

IUPAC2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CN(Cc2nccs2)C(CC)CN1
InChIInChI=1S/C12H21N3S/c1-3-10-8-15(11(4-2)7-14-10)9-12-13-5-6-16-12/h5-6,10-11,14H,3-4,7-9H2,1-2H3
InChIKeySYNRVLNLNJRXID-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.11
Rot. Bonds4

About 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole

2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 64946674) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID64946674
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCC1CN(Cc2nccs2)C(CC)CN1
InChIInChI=1S/C12H21N3S/c1-3-10-8-15(11(4-2)7-14-10)9-12-13-5-6-16-12/h5-6,10-11,14H,3-4,7-9H2,1-2H3
InChIKeySYNRVLNLNJRXID-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole (CID 64946674) is 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole is CCC1CN(Cc2nccs2)C(CC)CN1.
What is the InChIKey of 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is SYNRVLNLNJRXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-10-8-15(11(4-2)7-14-10)9-12-13-5-6-16-12/h5-6,10-11,14H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole?
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64946674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).