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

C18H21N3O2S — CID 8780790

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

3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 8780790) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 8780790
• Molecular Formula: C18H21N3O2S
• Molecular Weight: 343.45 g/mol
• Exact Mass: 343.14
• IUPAC Name: 3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: CC(=O)NCCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C18H21N3O2S/c1-12(22)19-9-8-17(23)21-18-20-16(11-24-18)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,22)(H,20,21,23)
• InChIKey: IPYFYNWQSQMAMV-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.45
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide (CID 8780790) is 3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide.

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

The canonical SMILES for 3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide is CC(=O)NCCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

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

The InChIKey is IPYFYNWQSQMAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(22)19-9-8-17(23)21-18-20-16(11-24-18)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,22)(H,20,21,23).

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

3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 343.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 8780790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).