N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C18H17N5O3S — CID 71788319

About N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788319) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• PubChem CID: 71788319
• Molecular Formula: C18H17N5O3S
• Molecular Weight: 383.43 g/mol
• Exact Mass: 383.11
• IUPAC Name: N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• SMILES: O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1cccnc1
• InChI: InChI=1S/C18H17N5O3S/c24-16(20-13-2-1-5-19-8-13)10-23-6-3-14-15(9-23)27-18(21-14)22-17(25)12-4-7-26-11-12/h1-2,4-5,7-8,11H,3,6,9-10H2,(H,20,24)(H,21,22,25)
• InChIKey: MVFGBPWOFDWWKN-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788319) is N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

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

The canonical SMILES for N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is O=C(CN1CCc2nc(NC(=O)c3ccoc3)sc2C1)Nc1cccnc1.

What is the InChIKey of N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The InChIKey is MVFGBPWOFDWWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c24-16(20-13-2-1-5-19-8-13)10-23-6-3-14-15(9-23)27-18(21-14)22-17(25)12-4-7-26-11-12/h1-2,4-5,7-8,11H,3,6,9-10H2,(H,20,24)(H,21,22,25).

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

N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-oxo-2-(pyridin-3-ylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).