7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide

C28H25F2N5O5S2 — CID 73243235

About 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide

7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide (PubChem CID 73243235) has the molecular formula C28H25F2N5O5S2 and a molecular weight of 613.67 g/mol. Its IUPAC name is 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide.

Molecular Properties

• Compound Name: 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide
• PubChem CID: 73243235
• Molecular Formula: C28H25F2N5O5S2
• Molecular Weight: 613.67 g/mol
• Exact Mass: 613.13
• IUPAC Name: 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide
• SMILES: CN(C)C=O.COc1ccc(C=C2N=C(SCc3cc(=O)n4ccsc4n3)N(c3ccc(OC(F)F)cc3)C2=O)cc1
• InChI: InChI=1S/C25H18F2N4O4S2.C3H7NO/c1-34-18-6-2-15(3-7-18)12-20-22(33)31(17-4-8-19(9-5-17)35-23(26)27)25(29-20)37-14-16-13-21(32)30-10-11-36-24(30)28-16;1-4(2)3-5/h2-13,23H,14H2,1H3;3H,1-2H3
• InChIKey: YFMYZUOKSIKLTN-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 105.81 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.67
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide?

The IUPAC name of 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide (CID 73243235) is 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide.

What is the SMILES notation for 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide?

The canonical SMILES for 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide is CN(C)C=O.COc1ccc(C=C2N=C(SCc3cc(=O)n4ccsc4n3)N(c3ccc(OC(F)F)cc3)C2=O)cc1.

What is the InChIKey of 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide?

The InChIKey is YFMYZUOKSIKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O4S2.C3H7NO/c1-34-18-6-2-15(3-7-18)12-20-22(33)31(17-4-8-19(9-5-17)35-23(26)27)25(29-20)37-14-16-13-21(32)30-10-11-36-24(30)28-16;1-4(2)3-5/h2-13,23H,14H2,1H3;3H,1-2H3.

What are the key properties of 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide?

7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide has a molecular weight of 613.67 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;N,N-dimethylformamide is sourced from PubChem (CID 73243235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).