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

C14H16BrN3S — CID 116966532

IUPAC4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
SMILESCN1CCNC(c2nc(-c3cccc(Br)c3)cs2)C1
InChIInChI=1S/C14H16BrN3S/c1-18-6-5-16-12(8-18)14-17-13(9-19-14)10-3-2-4-11(15)7-10/h2-4,7,9,12,16H,5-6,8H2,1H3
InChIKeyABOLUSNCEXYLFS-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.15
Rot. Bonds2

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

4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole (PubChem CID 116966532) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
PubChem CID116966532
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
SMILESCN1CCNC(c2nc(-c3cccc(Br)c3)cs2)C1
InChIInChI=1S/C14H16BrN3S/c1-18-6-5-16-12(8-18)14-17-13(9-19-14)10-3-2-4-11(15)7-10/h2-4,7,9,12,16H,5-6,8H2,1H3
InChIKeyABOLUSNCEXYLFS-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

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Related Compounds

4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830
3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline
CID 79667047
4-(3-bromophenyl)-2-(1-ethylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 1390058
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
3-(3-bromophenyl)-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 82569086
4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988923
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-ethylcyclohexan-1-amine
CID 63526231
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]morpholine
CID 102748231
2-(3-bromophenyl)-4-(1-methylpiperazin-2-yl)-1,3-thiazole
CID 116890392
3-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 83439832
4-(3-bromo-4-fluorophenyl)-2-piperidin-2-yl-1,3-thiazole
CID 62913340

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole (CID 116966532) is 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole is CN1CCNC(c2nc(-c3cccc(Br)c3)cs2)C1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole?
The InChIKey is ABOLUSNCEXYLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-18-6-5-16-12(8-18)14-17-13(9-19-14)10-3-2-4-11(15)7-10/h2-4,7,9,12,16H,5-6,8H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole?
4-(3-bromophenyl)-2-(4-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 4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole is sourced from PubChem (CID 116966532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).