N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide

C20H17Cl2N3OS — CID 16547111

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide (PubChem CID 16547111) has the molecular formula C20H17Cl2N3OS and a molecular weight of 418.35 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide
• PubChem CID: 16547111
• Molecular Formula: C20H17Cl2N3OS
• Molecular Weight: 418.35 g/mol
• Exact Mass: 417.05
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C20H17Cl2N3OS/c21-14-6-7-16(22)15(10-14)19(26)24-20-23-17-8-9-25(12-18(17)27-20)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,24,26)
• InChIKey: MWVYEFYIXPNYMH-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 45.23 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	418.35
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide?

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide (CID 16547111) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide.

What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide?

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(Cl)ccc1Cl.

What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide?

The InChIKey is MWVYEFYIXPNYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3OS/c21-14-6-7-16(22)15(10-14)19(26)24-20-23-17-8-9-25(12-18(17)27-20)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,24,26).

What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide?

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide has a molecular weight of 418.35 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,5-dichlorobenzamide is sourced from PubChem (CID 16547111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).