2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole

C12H21N3OS — CID 82065442

IUPAC2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESCOCCc1nc(CCN2CCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-16-9-3-12-14-11(10-17-12)2-6-15-7-4-13-5-8-15/h10,13H,2-9H2,1H3
InChIKeyAGTWECFHWPIXNP-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.78
Rot. Bonds6

About 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole

2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 82065442) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID82065442
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole
SMILESCOCCc1nc(CCN2CCNCC2)cs1
InChIInChI=1S/C12H21N3OS/c1-16-9-3-12-14-11(10-17-12)2-6-15-7-4-13-5-8-15/h10,13H,2-9H2,1H3
InChIKeyAGTWECFHWPIXNP-UHFFFAOYSA-N
XLogP0.78
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole (CID 82065442) is 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole is COCCc1nc(CCN2CCNCC2)cs1.
What is the InChIKey of 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is AGTWECFHWPIXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-16-9-3-12-14-11(10-17-12)2-6-15-7-4-13-5-8-15/h10,13H,2-9H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole?
2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 255.39 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-4-(2-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 82065442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).