tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate

C27H34N6O4S — CID 142197863

About tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate

tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate (PubChem CID 142197863) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate
• PubChem CID: 142197863
• Molecular Formula: C27H34N6O4S
• Molecular Weight: 538.67 g/mol
• Exact Mass: 538.24
• IUPAC Name: tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate
• SMILES: Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)cc2c1
• InChI: InChI=1S/C27H34N6O4S/c1-15-6-7-17-16(10-15)11-19(28-17)23(34)29-20-12-33(26(36)37-27(2,3)4)13-21(20)30-24(35)25-31-18-8-9-32(5)14-22(18)38-25/h6-7,10-11,20-21,28H,8-9,12-14H2,1-5H3,(H,29,34)(H,30,35)/t20-,21-/m1/s1
• InChIKey: BOMQFOXFDBMFEM-NHCUHLMSSA-N
• XLogP: 3.07
• TPSA: 119.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.67
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate (CID 142197863) is tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate is Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)cc2c1.

What is the InChIKey of tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate?

The InChIKey is BOMQFOXFDBMFEM-NHCUHLMSSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-15-6-7-17-16(10-15)11-19(28-17)23(34)29-20-12-33(26(36)37-27(2,3)4)13-21(20)30-24(35)25-31-18-8-9-32(5)14-22(18)38-25/h6-7,10-11,20-21,28H,8-9,12-14H2,1-5H3,(H,29,34)(H,30,35)/t20-,21-/m1/s1.

What are the key properties of tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate?

tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 538.67 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 142197863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).