1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

C23H23N5OS — CID 171767458

About 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one

1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (PubChem CID 171767458) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
• PubChem CID: 171767458
• Molecular Formula: C23H23N5OS
• Molecular Weight: 417.54 g/mol
• Exact Mass: 417.16
• IUPAC Name: 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one
• SMILES: Cc1ccc2nc(N[C@H]3CC[C@H](Nc4ccc(-n5ccccc5=O)cn4)C3)sc2c1
• InChI: InChI=1S/C23H23N5OS/c1-15-5-9-19-20(12-15)30-23(27-19)26-17-7-6-16(13-17)25-21-10-8-18(14-24-21)28-11-3-2-4-22(28)29/h2-5,8-12,14,16-17H,6-7,13H2,1H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1
• InChIKey: ODRNOUKFKGJWFR-IRXDYDNUSA-N
• XLogP: 4.60
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.54
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

The IUPAC name of 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one (CID 171767458) is 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one.

What is the SMILES notation for 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

The canonical SMILES for 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is Cc1ccc2nc(N[C@H]3CC[C@H](Nc4ccc(-n5ccccc5=O)cn4)C3)sc2c1.

What is the InChIKey of 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

The InChIKey is ODRNOUKFKGJWFR-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-15-5-9-19-20(12-15)30-23(27-19)26-17-7-6-16(13-17)25-21-10-8-18(14-24-21)28-11-3-2-4-22(28)29/h2-5,8-12,14,16-17H,6-7,13H2,1H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1.

What are the key properties of 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one?

1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one has a molecular weight of 417.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[(1S,3S)-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyridin-2-one is sourced from PubChem (CID 171767458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).