2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole

C17H22N6S — CID 75369822

IUPAC2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESCc1cc(C)n2cc(CN3CCN(c4nccs4)C(C)C3)nc2n1
InChIInChI=1S/C17H22N6S/c1-12-8-13(2)23-11-15(20-16(23)19-12)10-21-5-6-22(14(3)9-21)17-18-4-7-24-17/h4,7-8,11,14H,5-6,9-10H2,1-3H3
InChIKeyZNMJOOWDMFZWFX-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole

2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (PubChem CID 75369822) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
PubChem CID75369822
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESCc1cc(C)n2cc(CN3CCN(c4nccs4)C(C)C3)nc2n1
InChIInChI=1S/C17H22N6S/c1-12-8-13(2)23-11-15(20-16(23)19-12)10-21-5-6-22(14(3)9-21)17-18-4-7-24-17/h4,7-8,11,14H,5-6,9-10H2,1-3H3
InChIKeyZNMJOOWDMFZWFX-UHFFFAOYSA-N
XLogP2.51
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (CID 75369822) is 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is Cc1cc(C)n2cc(CN3CCN(c4nccs4)C(C)C3)nc2n1.
What is the InChIKey of 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is ZNMJOOWDMFZWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-12-8-13(2)23-11-15(20-16(23)19-12)10-21-5-6-22(14(3)9-21)17-18-4-7-24-17/h4,7-8,11,14H,5-6,9-10H2,1-3H3.
What are the key properties of 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 342.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 75369822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).