6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole

C17H20N4S — CID 90057657

IUPAC6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(Cc2cn3cc(-c4ccccc4)sc3n2)CC1
InChIInChI=1S/C17H20N4S/c1-19-7-9-20(10-8-19)11-15-12-21-13-16(22-17(21)18-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyVXDGALZHNKTOQZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.81
Rot. Bonds3

About 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole

6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 90057657) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID90057657
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole
SMILESCN1CCN(Cc2cn3cc(-c4ccccc4)sc3n2)CC1
InChIInChI=1S/C17H20N4S/c1-19-7-9-20(10-8-19)11-15-12-21-13-16(22-17(21)18-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyVXDGALZHNKTOQZ-UHFFFAOYSA-N
XLogP2.81
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole (CID 90057657) is 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole is CN1CCN(Cc2cn3cc(-c4ccccc4)sc3n2)CC1.
What is the InChIKey of 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is VXDGALZHNKTOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-19-7-9-20(10-8-19)11-15-12-21-13-16(22-17(21)18-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3.
What are the key properties of 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole?
6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 312.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperazin-1-yl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 90057657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).