5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide

C21H19ClN2O2S — CID 7915538

About 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide

5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 7915538) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 7915538
• Molecular Formula: C21H19ClN2O2S
• Molecular Weight: 398.92 g/mol
• Exact Mass: 398.09
• IUPAC Name: 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C21H19ClN2O2S/c1-26-19-9-8-16(22)11-17(19)20(25)24-21-23-18(12-27-21)15-7-6-13-4-2-3-5-14(13)10-15/h6-12H,2-5H2,1H3,(H,23,24,25)
• InChIKey: ZEDMISVVCZYLAM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.92
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 7915538) is 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

What is the InChIKey of 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

The InChIKey is ZEDMISVVCZYLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-26-19-9-8-16(22)11-17(19)20(25)24-21-23-18(12-27-21)15-7-6-13-4-2-3-5-14(13)10-15/h6-12H,2-5H2,1H3,(H,23,24,25).

What are the key properties of 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide?

5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 398.92 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 7915538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).