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

C14H16BrN3S — CID 116890392

IUPAC2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole
SMILESCN1CCNCC1c1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3S/c1-18-6-5-16-8-13(18)12-9-19-14(17-12)10-3-2-4-11(15)7-10/h2-4,7,9,13,16H,5-6,8H2,1H3
InChIKeyWIEWDXBLPHQMCN-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.15
Rot. Bonds2

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

2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole (PubChem CID 116890392) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole
PubChem CID116890392
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole
SMILESCN1CCNCC1c1csc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3S/c1-18-6-5-16-8-13(18)12-9-19-14(17-12)10-3-2-4-11(15)7-10/h2-4,7,9,13,16H,5-6,8H2,1H3
InChIKeyWIEWDXBLPHQMCN-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
3-(1-methylpiperazin-2-yl)-5-[3-(1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120961460
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957765
5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959246
2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116888824
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide
CID 119428386
5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960912
3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-5-methyloxolan-2-one
CID 11024216
5-(4-bromo-2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957282

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole (CID 116890392) is 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole is CN1CCNCC1c1csc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole?
The InChIKey is WIEWDXBLPHQMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-18-6-5-16-8-13(18)12-9-19-14(17-12)10-3-2-4-11(15)7-10/h2-4,7,9,13,16H,5-6,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole?
2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole has a molecular weight of 338.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole is sourced from PubChem (CID 116890392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).