N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide

C18H18N5OS+ — CID 8890951

About N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide

N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide (PubChem CID 8890951) has the molecular formula C18H18N5OS+ and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide
• PubChem CID: 8890951
• Molecular Formula: C18H18N5OS+
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.12
• IUPAC Name: N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)c1cnccn1
• InChI: InChI=1S/C18H17N5OS/c24-17(15-10-19-7-8-20-15)22-18-21-14-6-9-23(12-16(14)25-18)11-13-4-2-1-3-5-13/h1-5,7-8,10H,6,9,11-12H2,(H,21,22,24)/p+1
• InChIKey: DGSDKHILNAGLLC-UHFFFAOYSA-O
• XLogP: 1.33
• TPSA: 72.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide?

The IUPAC name of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide (CID 8890951) is N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide is O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)c1cnccn1.

What is the InChIKey of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide?

The InChIKey is DGSDKHILNAGLLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N5OS/c24-17(15-10-19-7-8-20-15)22-18-21-14-6-9-23(12-16(14)25-18)11-13-4-2-1-3-5-13/h1-5,7-8,10H,6,9,11-12H2,(H,21,22,24)/p+1.

What are the key properties of N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide?

N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 8890951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).