2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

C11H19N3S — CID 64933085

IUPAC2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNCCN1Cc1nc(C)cs1
InChIInChI=1S/C11H19N3S/c1-3-10-6-12-4-5-14(10)7-11-13-9(2)8-15-11/h8,10,12H,3-7H2,1-2H3
InChIKeyARMWGQDLBHYLFX-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.64
Rot. Bonds3

About 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole

2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 64933085) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID64933085
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCCC1CNCCN1Cc1nc(C)cs1
InChIInChI=1S/C11H19N3S/c1-3-10-6-12-4-5-14(10)7-11-13-9(2)8-15-11/h8,10,12H,3-7H2,1-2H3
InChIKeyARMWGQDLBHYLFX-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
2-[(3-ethyl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-4-methyl-1,3-thiazole
CID 64948217
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 91832296
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941766
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
2-ethyl-1-(furan-2-ylmethyl)piperazine
CID 64938246
4-methyl-2-[(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)methyl]-1,3-thiazole
CID 64945713
2-[(2,4-dimethylazetidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 131132321
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
CID 63602697
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861
2-(3-ethylpiperazin-1-yl)-4-methyl-1,3-thiazole
CID 82673560

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole (CID 64933085) is 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is CCC1CNCCN1Cc1nc(C)cs1.
What is the InChIKey of 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is ARMWGQDLBHYLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-10-6-12-4-5-14(10)7-11-13-9(2)8-15-11/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole?
2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 64933085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).