N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide

C24H22FN5OS — CID 144829901

About N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide

N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide (PubChem CID 144829901) has the molecular formula C24H22FN5OS and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide
• PubChem CID: 144829901
• Molecular Formula: C24H22FN5OS
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.15
• IUPAC Name: N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide
• SMILES: CN(C(=O)c1ccccc1-c1ncccn1)C1CCC[C@@H]1Nc1nc2ccc(F)cc2s1
• InChI: InChI=1S/C24H22FN5OS/c1-30(23(31)17-7-3-2-6-16(17)22-26-12-5-13-27-22)20-9-4-8-18(20)28-24-29-19-11-10-15(25)14-21(19)32-24/h2-3,5-7,10-14,18,20H,4,8-9H2,1H3,(H,28,29)/t18-,20?/m0/s1
• InChIKey: KPMINBHGKJYBCD-LROBGIAVSA-N
• XLogP: 5.00
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide?

The IUPAC name of N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide (CID 144829901) is N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide.

What is the SMILES notation for N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide?

The canonical SMILES for N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide is CN(C(=O)c1ccccc1-c1ncccn1)C1CCC[C@@H]1Nc1nc2ccc(F)cc2s1.

What is the InChIKey of N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide?

The InChIKey is KPMINBHGKJYBCD-LROBGIAVSA-N. The full InChI is InChI=1S/C24H22FN5OS/c1-30(23(31)17-7-3-2-6-16(17)22-26-12-5-13-27-22)20-9-4-8-18(20)28-24-29-19-11-10-15(25)14-21(19)32-24/h2-3,5-7,10-14,18,20H,4,8-9H2,1H3,(H,28,29)/t18-,20?/m0/s1.

What are the key properties of N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide?

N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 447.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 144829901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).