N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide

C23H24N6O3S — CID 58441195

About N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide

N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide (PubChem CID 58441195) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide.

Molecular Properties

• Compound Name: N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide
• PubChem CID: 58441195
• Molecular Formula: C23H24N6O3S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.16
• IUPAC Name: N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide
• SMILES: CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccncc1)CC2
• InChI: InChI=1S/C23H24N6O3S/c1-14(2)25-20(30)16-5-3-4-6-17(16)26-22(32)28-23-27-18-9-12-29(13-19(18)33-23)21(31)15-7-10-24-11-8-15/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,25,30)(H2,26,27,28,32)
• InChIKey: UPNFTSXAJGGEQS-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 116.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide?

The IUPAC name of N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide (CID 58441195) is N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide.

What is the SMILES notation for N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide?

The canonical SMILES for N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide is CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(C(=O)c1ccncc1)CC2.

What is the InChIKey of N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide?

The InChIKey is UPNFTSXAJGGEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-14(2)25-20(30)16-5-3-4-6-17(16)26-22(32)28-23-27-18-9-12-29(13-19(18)33-23)21(31)15-7-10-24-11-8-15/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,25,30)(H2,26,27,28,32).

What are the key properties of N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide?

N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide has a molecular weight of 464.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide is sourced from PubChem (CID 58441195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).