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

C8H13N3S — CID 28781798

IUPAC4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESc1nc(CN2CCNCC2)cs1
InChIInChI=1S/C8H13N3S/c1-3-11(4-2-9-1)5-8-6-12-7-10-8/h6-7,9H,1-5H2
InChIKeyYRQHAURHWDVVTK-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.55
Rot. Bonds2

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

4-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 28781798) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID28781798
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESc1nc(CN2CCNCC2)cs1
InChIInChI=1S/C8H13N3S/c1-3-11(4-2-9-1)5-8-6-12-7-10-8/h6-7,9H,1-5H2
InChIKeyYRQHAURHWDVVTK-UHFFFAOYSA-N
XLogP0.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(piperazin-1-ylmethyl)-1,3-thiazole (CID 28781798) is 4-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-1,3-thiazole is c1nc(CN2CCNCC2)cs1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is YRQHAURHWDVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-11(4-2-9-1)5-8-6-12-7-10-8/h6-7,9H,1-5H2.
What are the key properties of 4-(piperazin-1-ylmethyl)-1,3-thiazole?
4-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 183.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 28781798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).