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

C11H19N3OS — CID 71755635

IUPAC2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCOC(C)c1nc(CN2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-9(15-2)11-13-10(8-16-11)7-14-5-3-12-4-6-14/h8-9,12H,3-7H2,1-2H3
InChIKeyKKPQNCNHQNXBOE-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.26
Rot. Bonds4

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

2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 71755635) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID71755635
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCOC(C)c1nc(CN2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-9(15-2)11-13-10(8-16-11)7-14-5-3-12-4-6-14/h8-9,12H,3-7H2,1-2H3
InChIKeyKKPQNCNHQNXBOE-UHFFFAOYSA-N
XLogP1.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole (CID 71755635) is 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole is COC(C)c1nc(CN2CCNCC2)cs1.
What is the InChIKey of 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is KKPQNCNHQNXBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(15-2)11-13-10(8-16-11)7-14-5-3-12-4-6-14/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole?
2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 241.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 71755635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).