N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

C27H28FN5O2S — CID 89325666

About N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine

N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (PubChem CID 89325666) has the molecular formula C27H28FN5O2S and a molecular weight of 505.62 g/mol. Its IUPAC name is N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• PubChem CID: 89325666
• Molecular Formula: C27H28FN5O2S
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.19
• IUPAC Name: N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
• SMILES: Fc1c(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)ccnc1N1CCOCC1
• InChI: InChI=1S/C27H28FN5O2S/c28-25-21(9-11-30-26(25)33-12-14-34-15-13-33)23-16-20(8-10-29-23)35-19-6-7-22-24(17-19)36-27(32-22)31-18-4-2-1-3-5-18/h6-11,16-18H,1-5,12-15H2,(H,31,32)
• InChIKey: VTJJYINJOQIFNH-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 72.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The IUPAC name of N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine (CID 89325666) is N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine.

What is the SMILES notation for N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The canonical SMILES for N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is Fc1c(-c2cc(Oc3ccc4nc(NC5CCCCC5)sc4c3)ccn2)ccnc1N1CCOCC1.

What is the InChIKey of N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

The InChIKey is VTJJYINJOQIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2S/c28-25-21(9-11-30-26(25)33-12-14-34-15-13-33)23-16-20(8-10-29-23)35-19-6-7-22-24(17-19)36-27(32-22)31-18-4-2-1-3-5-18/h6-11,16-18H,1-5,12-15H2,(H,31,32).

What are the key properties of N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine?

N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine has a molecular weight of 505.62 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-6-[[2-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 89325666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).