ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate

C18H20N4O3S2 — CID 23972899

About ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate

ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate (PubChem CID 23972899) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate
• PubChem CID: 23972899
• Molecular Formula: C18H20N4O3S2
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.10
• IUPAC Name: ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate
• SMILES: CCCc1ccc2c(N)c(C(=O)Nc3ncc(CC(=O)OCC)s3)sc2n1
• InChI: InChI=1S/C18H20N4O3S2/c1-3-5-10-6-7-12-14(19)15(27-17(12)21-10)16(24)22-18-20-9-11(26-18)8-13(23)25-4-2/h6-7,9H,3-5,8,19H2,1-2H3,(H,20,22,24)
• InChIKey: QIWLRLSEJGIKNC-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 107.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate?

The IUPAC name of ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate (CID 23972899) is ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate.

What is the SMILES notation for ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate?

The canonical SMILES for ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate is CCCc1ccc2c(N)c(C(=O)Nc3ncc(CC(=O)OCC)s3)sc2n1.

What is the InChIKey of ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate?

The InChIKey is QIWLRLSEJGIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-3-5-10-6-7-12-14(19)15(27-17(12)21-10)16(24)22-18-20-9-11(26-18)8-13(23)25-4-2/h6-7,9H,3-5,8,19H2,1-2H3,(H,20,22,24).

What are the key properties of ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate?

ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate has a molecular weight of 404.52 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 23972899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).