N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C22H20N6OS — CID 30876196

About N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 30876196) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
• PubChem CID: 30876196
• Molecular Formula: C22H20N6OS
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.14
• IUPAC Name: N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
• SMILES: O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1
• InChI: InChI=1S/C22H20N6OS/c29-21(11-15-5-9-19(10-6-15)28-14-23-26-27-28)25-22-24-20(13-30-22)18-8-7-16-3-1-2-4-17(16)12-18/h5-10,12-14H,1-4,11H2,(H,24,25,29)
• InChIKey: SKLNNFWBTIBECN-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 30876196) is N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

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

The canonical SMILES for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1.

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

The InChIKey is SKLNNFWBTIBECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c29-21(11-15-5-9-19(10-6-15)28-14-23-26-27-28)25-22-24-20(13-30-22)18-8-7-16-3-1-2-4-17(16)12-18/h5-10,12-14H,1-4,11H2,(H,24,25,29).

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

N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 416.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 30876196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).