4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole

C10H16BrN3S — CID 79399887

IUPAC4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCC(C)N1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-8(2)13-3-5-14(6-4-13)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyKOOBLYMUNHAJLY-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.44
Rot. Bonds2

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

4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 79399887) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID79399887
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESCC(C)N1CCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C10H16BrN3S/c1-8(2)13-3-5-14(6-4-13)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3
InChIKeyKOOBLYMUNHAJLY-UHFFFAOYSA-N
XLogP2.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.44
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-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole (CID 79399887) is 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is CC(C)N1CCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is KOOBLYMUNHAJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-8(2)13-3-5-14(6-4-13)10-12-9(11)7-15-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole?
4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 290.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 79399887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).