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

C23H23N5O3S — CID 1030995

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

N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (PubChem CID 1030995) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
• PubChem CID: 1030995
• Molecular Formula: C23H23N5O3S
• Molecular Weight: 449.54 g/mol
• Exact Mass: 449.15
• IUPAC Name: N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide
• SMILES: O=C(Cc1csc(NC(=O)CN(C(=O)c2ccccc2)C2CC2)n1)NCc1ccncc1
• InChI: InChI=1S/C23H23N5O3S/c29-20(25-13-16-8-10-24-11-9-16)12-18-15-32-23(26-18)27-21(30)14-28(19-6-7-19)22(31)17-4-2-1-3-5-17/h1-5,8-11,15,19H,6-7,12-14H2,(H,25,29)(H,26,27,30)
• InChIKey: GGKUPMDFPMTFAR-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.54
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide (CID 1030995) is N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is O=C(Cc1csc(NC(=O)CN(C(=O)c2ccccc2)C2CC2)n1)NCc1ccncc1.

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

The InChIKey is GGKUPMDFPMTFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c29-20(25-13-16-8-10-24-11-9-16)12-18-15-32-23(26-18)27-21(30)14-28(19-6-7-19)22(31)17-4-2-1-3-5-17/h1-5,8-11,15,19H,6-7,12-14H2,(H,25,29)(H,26,27,30).

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

N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide has a molecular weight of 449.54 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-oxo-2-[[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 1030995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).