tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate

C23H25N3O4S — CID 10478363

About tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate

tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate (PubChem CID 10478363) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate
• PubChem CID: 10478363
• Molecular Formula: C23H25N3O4S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.16
• IUPAC Name: tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate
• SMILES: COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1
• InChI: InChI=1S/C23H25N3O4S/c1-23(2,3)30-22(28)26-12-17(16-8-7-15(29-4)10-19(16)26)20(27)18-13-31-21(25-18)14-6-5-9-24-11-14/h5-12,18,21,25H,13H2,1-4H3/t18-,21?/m0/s1
• InChIKey: MOKQUZDOINUGOC-YMXDCFFPSA-N
• XLogP: 4.41
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?

The IUPAC name of tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate (CID 10478363) is tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate.

What is the SMILES notation for tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?

The canonical SMILES for tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate is COc1ccc2c(C(=O)[C@@H]3CSC(c4cccnc4)N3)cn(C(=O)OC(C)(C)C)c2c1.

What is the InChIKey of tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?

The InChIKey is MOKQUZDOINUGOC-YMXDCFFPSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-23(2,3)30-22(28)26-12-17(16-8-7-15(29-4)10-19(16)26)20(27)18-13-31-21(25-18)14-6-5-9-24-11-14/h5-12,18,21,25H,13H2,1-4H3/t18-,21?/m0/s1.

What are the key properties of tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate?

tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate has a molecular weight of 439.54 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate is sourced from PubChem (CID 10478363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).