4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C8H12BrN3S — CID 43811061

IUPAC4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C8H12BrN3S/c1-11-2-4-12(5-3-11)8-10-7(9)6-13-8/h6H,2-5H2,1H3
InChIKeyGHLARJPRKBAWMZ-UHFFFAOYSA-N
MW262.18 g/mol
LogP1.66
Rot. Bonds1

About 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 43811061) has the molecular formula C8H12BrN3S and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID43811061
Molecular FormulaC8H12BrN3S
Molecular Weight262.18 g/mol
Exact Mass260.99
IUPAC Name4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESCN1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C8H12BrN3S/c1-11-2-4-12(5-3-11)8-10-7(9)6-13-8/h6H,2-5H2,1H3
InChIKeyGHLARJPRKBAWMZ-UHFFFAOYSA-N
XLogP1.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 43811061) is 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole is CN1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is GHLARJPRKBAWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3S/c1-11-2-4-12(5-3-11)8-10-7(9)6-13-8/h6H,2-5H2,1H3.
What are the key properties of 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 262.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 43811061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).