4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine

C20H22F2N6S — CID 176566849

About 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine

4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine (PubChem CID 176566849) has the molecular formula C20H22F2N6S and a molecular weight of 416.50 g/mol. Its IUPAC name is 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine.

Molecular Properties

• Compound Name: 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine
• PubChem CID: 176566849
• Molecular Formula: C20H22F2N6S
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.16
• IUPAC Name: 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine
• SMILES: CN.Cc1cn2cc(Nc3nsc4cc(N5CCCC5)cc(F)c34)cc(F)c2n1
• InChI: InChI=1S/C19H17F2N5S.CH5N/c1-11-9-26-10-12(6-15(21)19(26)22-11)23-18-17-14(20)7-13(8-16(17)27-24-18)25-4-2-3-5-25;1-2/h6-10H,2-5H2,1H3,(H,23,24);2H2,1H3
• InChIKey: SCSWXZYXAZWFOQ-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 71.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine?

The IUPAC name of 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine (CID 176566849) is 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine.

What is the SMILES notation for 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine?

The canonical SMILES for 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine is CN.Cc1cn2cc(Nc3nsc4cc(N5CCCC5)cc(F)c34)cc(F)c2n1.

What is the InChIKey of 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine?

The InChIKey is SCSWXZYXAZWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5S.CH5N/c1-11-9-26-10-12(6-15(21)19(26)22-11)23-18-17-14(20)7-13(8-16(17)27-24-18)25-4-2-3-5-25;1-2/h6-10H,2-5H2,1H3,(H,23,24);2H2,1H3.

What are the key properties of 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine?

4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine has a molecular weight of 416.50 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-pyrrolidin-1-yl-1,2-benzothiazol-3-amine;methanamine is sourced from PubChem (CID 176566849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).