2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole

C12H15N3S2 — CID 45496554

IUPAC2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(CN3CCNCC3)n2)c1
InChIInChI=1S/C12H15N3S2/c1-2-11(16-7-1)10-9-17-12(14-10)8-15-5-3-13-4-6-15/h1-2,7,9,13H,3-6,8H2
InChIKeyXDSKNKNMSTWIQO-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.28
Rot. Bonds3

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

2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole (PubChem CID 45496554) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole
PubChem CID45496554
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2csc(CN3CCNCC3)n2)c1
InChIInChI=1S/C12H15N3S2/c1-2-11(16-7-1)10-9-17-12(14-10)8-15-5-3-13-4-6-15/h1-2,7,9,13H,3-6,8H2
InChIKeyXDSKNKNMSTWIQO-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole (CID 45496554) is 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole is c1csc(-c2csc(CN3CCNCC3)n2)c1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is XDSKNKNMSTWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-11(16-7-1)10-9-17-12(14-10)8-15-5-3-13-4-6-15/h1-2,7,9,13H,3-6,8H2.
What are the key properties of 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole?
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 265.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 45496554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).