tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate

C20H31N5O4S — CID 58893710

About tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate

tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate (PubChem CID 58893710) has the molecular formula C20H31N5O4S and a molecular weight of 437.57 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate
• PubChem CID: 58893710
• Molecular Formula: C20H31N5O4S
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.21
• IUPAC Name: tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate
• SMILES: CN1CCc2nc(C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)N3CCCC3)sc2C1
• InChI: InChI=1S/C20H31N5O4S/c1-20(2,3)29-19(28)21-11-14(18(27)25-8-5-6-9-25)22-16(26)17-23-13-7-10-24(4)12-15(13)30-17/h14H,5-12H2,1-4H3,(H,21,28)(H,22,26)
• InChIKey: SGIBLVOBTGBDIR-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 103.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate?

The IUPAC name of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate (CID 58893710) is tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate is CN1CCc2nc(C(=O)NC(CNC(=O)OC(C)(C)C)C(=O)N3CCCC3)sc2C1.

What is the InChIKey of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate?

The InChIKey is SGIBLVOBTGBDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O4S/c1-20(2,3)29-19(28)21-11-14(18(27)25-8-5-6-9-25)22-16(26)17-23-13-7-10-24(4)12-15(13)30-17/h14H,5-12H2,1-4H3,(H,21,28)(H,22,26).

What are the key properties of tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate?

tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate has a molecular weight of 437.57 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxo-3-pyrrolidin-1-ylpropyl]carbamate is sourced from PubChem (CID 58893710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).