N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole

C30H28FN9S2 — CID 126740832

About N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole

N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole (PubChem CID 126740832) has the molecular formula C30H28FN9S2 and a molecular weight of 597.75 g/mol. Its IUPAC name is N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole
• PubChem CID: 126740832
• Molecular Formula: C30H28FN9S2
• Molecular Weight: 597.75 g/mol
• Exact Mass: 597.19
• IUPAC Name: N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole
• SMILES: CN(C)c1ccn2cc(-c3ccsc3)nc2n1.FC1CCN(c2ccn3cc(-c4nc5ccccc5s4)nc3n2)CC1
• InChI: InChI=1S/C18H16FN5S.C12H12N4S/c19-12-5-8-23(9-6-12)16-7-10-24-11-14(21-18(24)22-16)17-20-13-3-1-2-4-15(13)25-17;1-15(2)11-3-5-16-7-10(13-12(16)14-11)9-4-6-17-8-9/h1-4,7,10-12H,5-6,8-9H2;3-8H,1-2H3
• InChIKey: STSQOPOKGJEARW-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 79.75 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	597.75
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole?

The IUPAC name of N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole (CID 126740832) is N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole.

What is the SMILES notation for N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole?

The canonical SMILES for N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole is CN(C)c1ccn2cc(-c3ccsc3)nc2n1.FC1CCN(c2ccn3cc(-c4nc5ccccc5s4)nc3n2)CC1.

What is the InChIKey of N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole?

The InChIKey is STSQOPOKGJEARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5S.C12H12N4S/c19-12-5-8-23(9-6-12)16-7-10-24-11-14(21-18(24)22-16)17-20-13-3-1-2-4-15(13)25-17;1-15(2)11-3-5-16-7-10(13-12(16)14-11)9-4-6-17-8-9/h1-4,7,10-12H,5-6,8-9H2;3-8H,1-2H3.

What are the key properties of N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole?

N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole has a molecular weight of 597.75 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 126740832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).