N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide

C20H16N4O4S — CID 20874316

About N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide

N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide (PubChem CID 20874316) has the molecular formula C20H16N4O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide
• PubChem CID: 20874316
• Molecular Formula: C20H16N4O4S
• Molecular Weight: 408.44 g/mol
• Exact Mass: 408.09
• IUPAC Name: N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccco1
• InChI: InChI=1S/C20H16N4O4S/c25-17-10-14(22-20-24(17)23-19(29-20)12-6-7-12)11-28-15-4-1-3-13(9-15)21-18(26)16-5-2-8-27-16/h1-5,8-10,12H,6-7,11H2,(H,21,26)
• InChIKey: UOGLVHOCJVXJIN-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide (CID 20874316) is N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide is O=C(Nc1cccc(OCc2cc(=O)n3nc(C4CC4)sc3n2)c1)c1ccco1.

What is the InChIKey of N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide?

The InChIKey is UOGLVHOCJVXJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S/c25-17-10-14(22-20-24(17)23-19(29-20)12-6-7-12)11-28-15-4-1-3-13(9-15)21-18(26)16-5-2-8-27-16/h1-5,8-10,12H,6-7,11H2,(H,21,26).

What are the key properties of N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide?

N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-cyclopropyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 20874316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).