4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide

C24H26N4O2S — CID 71472276

About 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide

4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 71472276) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 71472276
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide
• SMILES: CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(C3=CCNCC3)cc2)cs1
• InChI: InChI=1S/C24H26N4O2S/c1-15(2)30-22-8-7-19(23(25)29)13-20(22)27-24-28-21(14-31-24)18-5-3-16(4-6-18)17-9-11-26-12-10-17/h3-9,13-15,26H,10-12H2,1-2H3,(H2,25,29)(H,27,28)
• InChIKey: JIGVPZIOMPRXIV-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 89.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide (CID 71472276) is 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide.

What is the SMILES notation for 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide is CC(C)Oc1ccc(C(N)=O)cc1Nc1nc(-c2ccc(C3=CCNCC3)cc2)cs1.

What is the InChIKey of 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide?

The InChIKey is JIGVPZIOMPRXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15(2)30-22-8-7-19(23(25)29)13-20(22)27-24-28-21(14-31-24)18-5-3-16(4-6-18)17-9-11-26-12-10-17/h3-9,13-15,26H,10-12H2,1-2H3,(H2,25,29)(H,27,28).

What are the key properties of 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide?

4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 434.57 g/mol, XLogP of 4.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 71472276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).