N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide

C19H23N3OS2 — CID 18181175

About N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide (PubChem CID 18181175) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide
• PubChem CID: 18181175
• Molecular Formula: C19H23N3OS2
• Molecular Weight: 373.55 g/mol
• Exact Mass: 373.13
• IUPAC Name: N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide
• SMILES: Cc1cccc(Sc2cnc(C(=O)NC3C4CCN(CC4)C3C)s2)c1
• InChI: InChI=1S/C19H23N3OS2/c1-12-4-3-5-15(10-12)24-16-11-20-19(25-16)18(23)21-17-13(2)22-8-6-14(17)7-9-22/h3-5,10-11,13-14,17H,6-9H2,1-2H3,(H,21,23)
• InChIKey: PAIUYMWYMXKBPB-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.55
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide?

The IUPAC name of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide (CID 18181175) is N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide is Cc1cccc(Sc2cnc(C(=O)NC3C4CCN(CC4)C3C)s2)c1.

What is the InChIKey of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide?

The InChIKey is PAIUYMWYMXKBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-12-4-3-5-15(10-12)24-16-11-20-19(25-16)18(23)21-17-13(2)22-8-6-14(17)7-9-22/h3-5,10-11,13-14,17H,6-9H2,1-2H3,(H,21,23).

What are the key properties of N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide?

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide has a molecular weight of 373.55 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-5-(3-methylphenyl)sulfanyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 18181175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).