ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

C19H21N5O5S2 — CID 121467118

About ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 121467118) has the molecular formula C19H21N5O5S2 and a molecular weight of 463.54 g/mol. Its IUPAC name is ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• PubChem CID: 121467118
• Molecular Formula: C19H21N5O5S2
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.10
• IUPAC Name: ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
• SMILES: CCOC(=O)NC(=O)c1ccsc1NC(=O)C1Nc2ncc(N3CCOCC3)cc2S1
• InChI: InChI=1S/C19H21N5O5S2/c1-2-29-19(27)23-15(25)12-3-8-30-17(12)22-16(26)18-21-14-13(31-18)9-11(10-20-14)24-4-6-28-7-5-24/h3,8-10,18H,2,4-7H2,1H3,(H,20,21)(H,22,26)(H,23,25,27)
• InChIKey: NPFGKOVVHOXIHU-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 121.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The IUPAC name of ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 121467118) is ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.

What is the SMILES notation for ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The canonical SMILES for ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)C1Nc2ncc(N3CCOCC3)cc2S1.

What is the InChIKey of ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

The InChIKey is NPFGKOVVHOXIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5S2/c1-2-29-19(27)23-15(25)12-3-8-30-17(12)22-16(26)18-21-14-13(31-18)9-11(10-20-14)24-4-6-28-7-5-24/h3,8-10,18H,2,4-7H2,1H3,(H,20,21)(H,22,26)(H,23,25,27).

What are the key properties of ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate?

ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 463.54 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[(6-morpholin-4-yl-2,3-dihydro-[1,3]thiazolo[4,5-b]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121467118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).