4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole

C13H13BrClN3S — CID 82774541

IUPAC4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole
SMILESClc1cc(Br)ccc1-c1csc(N2CCNCC2)n1
InChIInChI=1S/C13H13BrClN3S/c14-9-1-2-10(11(15)7-9)12-8-19-13(17-12)18-5-3-16-4-6-18/h1-2,7-8,16H,3-6H2
InChIKeyFVJIYYSURRFTAH-UHFFFAOYSA-N
MW358.69 g/mol
LogP3.64
Rot. Bonds2

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

4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole (PubChem CID 82774541) has the molecular formula C13H13BrClN3S and a molecular weight of 358.69 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole
PubChem CID82774541
Molecular FormulaC13H13BrClN3S
Molecular Weight358.69 g/mol
Exact Mass356.97
IUPAC Name4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole
SMILESClc1cc(Br)ccc1-c1csc(N2CCNCC2)n1
InChIInChI=1S/C13H13BrClN3S/c14-9-1-2-10(11(15)7-9)12-8-19-13(17-12)18-5-3-16-4-6-18/h1-2,7-8,16H,3-6H2
InChIKeyFVJIYYSURRFTAH-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole (CID 82774541) is 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole is Clc1cc(Br)ccc1-c1csc(N2CCNCC2)n1.
What is the InChIKey of 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is FVJIYYSURRFTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3S/c14-9-1-2-10(11(15)7-9)12-8-19-13(17-12)18-5-3-16-4-6-18/h1-2,7-8,16H,3-6H2.
What are the key properties of 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole?
4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 358.69 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenyl)-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 82774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).