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

C18H22N4O5S — CID 90528151

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

ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (PubChem CID 90528151) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• PubChem CID: 90528151
• Molecular Formula: C18H22N4O5S
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.13
• IUPAC Name: ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
• SMILES: CCOC(=O)Nc1nc2c(s1)CN(C(=O)Nc1ccc(OC)cc1OC)CC2
• InChI: InChI=1S/C18H22N4O5S/c1-4-27-18(24)21-16-19-13-7-8-22(10-15(13)28-16)17(23)20-12-6-5-11(25-2)9-14(12)26-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,23)(H,19,21,24)
• InChIKey: AOVQCOKWRZRVHM-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate (CID 90528151) is ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate.

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

The canonical SMILES for ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2c(s1)CN(C(=O)Nc1ccc(OC)cc1OC)CC2.

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

The InChIKey is AOVQCOKWRZRVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-4-27-18(24)21-16-19-13-7-8-22(10-15(13)28-16)17(23)20-12-6-5-11(25-2)9-14(12)26-3/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,23)(H,19,21,24).

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

ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate has a molecular weight of 406.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[5-[(2,4-dimethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate is sourced from PubChem (CID 90528151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).