2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole

C12H21N3OS — CID 54595740

IUPAC2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-3-16-10(2)12-14-11(9-17-12)8-15-6-4-13-5-7-15/h9-10,13H,3-8H2,1-2H3
InChIKeyBKAKCNAWBSFHNL-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.65
Rot. Bonds5

About 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole

2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 54595740) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID54595740
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCCOC(C)c1nc(CN2CCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-3-16-10(2)12-14-11(9-17-12)8-15-6-4-13-5-7-15/h9-10,13H,3-8H2,1-2H3
InChIKeyBKAKCNAWBSFHNL-UHFFFAOYSA-N
XLogP1.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole (CID 54595740) is 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole is CCOC(C)c1nc(CN2CCNCC2)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is BKAKCNAWBSFHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-16-10(2)12-14-11(9-17-12)8-15-6-4-13-5-7-15/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 255.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 54595740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).