5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine

C21H26N6OS — CID 95836335

About 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95836335) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 95836335
• Molecular Formula: C21H26N6OS
• Molecular Weight: 410.55 g/mol
• Exact Mass: 410.19
• IUPAC Name: 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
• SMILES: CCc1nnc(Nc2cncc([C@H]3CCCN3Cc3ccc(C)cc3OC)n2)s1
• InChI: InChI=1S/C21H26N6OS/c1-4-20-25-26-21(29-20)24-19-12-22-11-16(23-19)17-6-5-9-27(17)13-15-8-7-14(2)10-18(15)28-3/h7-8,10-12,17H,4-6,9,13H2,1-3H3,(H,23,24,26)/t17-/m1/s1
• InChIKey: MJRZNNDDFJITKW-QGZVFWFLSA-N
• XLogP: 4.29
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.55
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine (CID 95836335) is 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine is CCc1nnc(Nc2cncc([C@H]3CCCN3Cc3ccc(C)cc3OC)n2)s1.

What is the InChIKey of 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?

The InChIKey is MJRZNNDDFJITKW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-4-20-25-26-21(29-20)24-19-12-22-11-16(23-19)17-6-5-9-27(17)13-15-8-7-14(2)10-18(15)28-3/h7-8,10-12,17H,4-6,9,13H2,1-3H3,(H,23,24,26)/t17-/m1/s1.

What are the key properties of 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine?

5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 410.55 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95836335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).