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

C20H17FN2OS — CID 4089252

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

2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4089252) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• PubChem CID: 4089252
• Molecular Formula: C20H17FN2OS
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.10
• IUPAC Name: 2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
• SMILES: O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccccc1F
• InChI: InChI=1S/C20H17FN2OS/c21-17-8-4-3-7-16(17)19(24)23-20-22-18(12-25-20)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-12H,1-2,5-6H2,(H,22,23,24)
• InChIKey: JTHBHMJSMXBBHG-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.43
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide (CID 4089252) is 2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide.

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

The canonical SMILES for 2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccccc1F.

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

The InChIKey is JTHBHMJSMXBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c21-17-8-4-3-7-16(17)19(24)23-20-22-18(12-25-20)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-12H,1-2,5-6H2,(H,22,23,24).

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

2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4089252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).