ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

C17H19FN4O3S — CID 90528028

About ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate

ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90528028) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• PubChem CID: 90528028
• Molecular Formula: C17H19FN4O3S
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.12
• IUPAC Name: ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• SMILES: CCOC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccccc1F)CC2
• InChI: InChI=1S/C17H19FN4O3S/c1-2-25-17(24)21-16-20-13-7-8-22(9-14(13)26-16)10-15(23)19-12-6-4-3-5-11(12)18/h3-6H,2,7-10H2,1H3,(H,19,23)(H,20,21,24)
• InChIKey: CMCJHAHIFNXASF-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?

The IUPAC name of ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90528028) is ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

What is the SMILES notation for ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?

The canonical SMILES for ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccccc1F)CC2.

What is the InChIKey of ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?

The InChIKey is CMCJHAHIFNXASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-2-25-17(24)21-16-20-13-7-8-22(9-14(13)26-16)10-15(23)19-12-6-4-3-5-11(12)18/h3-6H,2,7-10H2,1H3,(H,19,23)(H,20,21,24).

What are the key properties of ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate?

ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 378.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90528028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).