N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide

C20H19N3O4S — CID 1206319

About N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide

N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide (PubChem CID 1206319) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide
• PubChem CID: 1206319
• Molecular Formula: C20H19N3O4S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.11
• IUPAC Name: N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide
• SMILES: O=C(COc1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1)NCc1ccco1
• InChI: InChI=1S/C20H19N3O4S/c24-18(22-12-16-3-1-10-26-16)13-27-15-6-4-14(5-7-15)11-17-19(25)23-9-2-8-21-20(23)28-17/h1,3-7,10-11H,2,8-9,12-13H2,(H,22,24)/b17-11-
• InChIKey: YMFGGTJOZMRNAC-BOPFTXTBSA-N
• XLogP: 1.05
• TPSA: 85.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide (CID 1206319) is N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide is O=C(COc1ccc(/C=c2\sc3n(c2=O)CCCN=3)cc1)NCc1ccco1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?

The InChIKey is YMFGGTJOZMRNAC-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-18(22-12-16-3-1-10-26-16)13-27-15-6-4-14(5-7-15)11-17-19(25)23-9-2-8-21-20(23)28-17/h1,3-7,10-11H,2,8-9,12-13H2,(H,22,24)/b17-11-.

What are the key properties of N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide?

N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide has a molecular weight of 397.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[4-[(Z)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 1206319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).