N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

C23H22FN5O3S — CID 1031029

About N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide

N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 1031029) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
• PubChem CID: 1031029
• Molecular Formula: C23H22FN5O3S
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.14
• IUPAC Name: N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
• SMILES: O=C(Cc1csc(NC(=O)CN(C(=O)c2ccc(F)cc2)C2CC2)n1)NCc1ccccn1
• InChI: InChI=1S/C23H22FN5O3S/c24-16-6-4-15(5-7-16)22(32)29(19-8-9-19)13-21(31)28-23-27-18(14-33-23)11-20(30)26-12-17-3-1-2-10-25-17/h1-7,10,14,19H,8-9,11-13H2,(H,26,30)(H,27,28,31)
• InChIKey: YDPHUSINBOQXHM-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?

The IUPAC name of N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 1031029) is N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

What is the SMILES notation for N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?

The canonical SMILES for N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is O=C(Cc1csc(NC(=O)CN(C(=O)c2ccc(F)cc2)C2CC2)n1)NCc1ccccn1.

What is the InChIKey of N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?

The InChIKey is YDPHUSINBOQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c24-16-6-4-15(5-7-16)22(32)29(19-8-9-19)13-21(31)28-23-27-18(14-33-23)11-20(30)26-12-17-3-1-2-10-25-17/h1-7,10,14,19H,8-9,11-13H2,(H,26,30)(H,27,28,31).

What are the key properties of N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide?

N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 467.53 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-fluoro-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 1031029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).