2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide

C12H15BrN3S2- — CID 53350902

IUPAC2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide
SMILESCN1CCN(c2nc(-c3cccs3)cs2)CC1.[Br-]
InChIInChI=1S/C12H15N3S2.BrH/c1-14-4-6-15(7-5-14)12-13-10(9-17-12)11-3-2-8-16-11;/h2-3,8-9H,4-7H2,1H3;1H/p-1
InChIKeyVRVWRGXLSJEIDJ-UHFFFAOYSA-M
MW345.31 g/mol
LogP-0.37
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide (PubChem CID 53350902) has the molecular formula C12H15BrN3S2- and a molecular weight of 345.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide
PubChem CID53350902
Molecular FormulaC12H15BrN3S2-
Molecular Weight345.31 g/mol
Exact Mass343.99
IUPAC Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide
SMILESCN1CCN(c2nc(-c3cccs3)cs2)CC1.[Br-]
InChIInChI=1S/C12H15N3S2.BrH/c1-14-4-6-15(7-5-14)12-13-10(9-17-12)11-3-2-8-16-11;/h2-3,8-9H,4-7H2,1H3;1H/p-1
InChIKeyVRVWRGXLSJEIDJ-UHFFFAOYSA-M
XLogP-0.37
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide (CID 53350902) is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide is CN1CCN(c2nc(-c3cccs3)cs2)CC1.[Br-].
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide?
The InChIKey is VRVWRGXLSJEIDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15N3S2.BrH/c1-14-4-6-15(7-5-14)12-13-10(9-17-12)11-3-2-8-16-11;/h2-3,8-9H,4-7H2,1H3;1H/p-1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide?
2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide has a molecular weight of 345.31 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole bromide is sourced from PubChem (CID 53350902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).