N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine

C21H19FN6S — CID 175095374

About N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine

N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine (PubChem CID 175095374) has the molecular formula C21H19FN6S and a molecular weight of 406.49 g/mol. Its IUPAC name is N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
• PubChem CID: 175095374
• Molecular Formula: C21H19FN6S
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.14
• IUPAC Name: N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
• SMILES: Fc1cnc(Nc2ccccn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1
• InChI: InChI=1S/C21H19FN6S/c22-15-12-24-20(27-18-7-3-4-10-23-18)28-19(15)13-8-9-16-17(11-13)29-21(26-16)25-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,25,26)(H,23,24,27,28)
• InChIKey: HGFNIHIUOHHFSF-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 75.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?

The IUPAC name of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine (CID 175095374) is N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine.

What is the SMILES notation for N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?

The canonical SMILES for N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine is Fc1cnc(Nc2ccccn2)nc1-c1ccc2nc(NC3CCCC3)sc2c1.

What is the InChIKey of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?

The InChIKey is HGFNIHIUOHHFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6S/c22-15-12-24-20(27-18-7-3-4-10-23-18)28-19(15)13-8-9-16-17(11-13)29-21(26-16)25-14-5-1-2-6-14/h3-4,7-12,14H,1-2,5-6H2,(H,25,26)(H,23,24,27,28).

What are the key properties of N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine?

N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine has a molecular weight of 406.49 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 175095374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).