7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C18H15FN4O2S — CID 118017732

About 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017732) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
• PubChem CID: 118017732
• Molecular Formula: C18H15FN4O2S
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.09
• IUPAC Name: 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
• SMILES: CCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3F)cc(=O)n12
• InChI: InChI=1S/C18H15FN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-14(24)23(16)18)7-11-5-4-6-12(9-20)15(11)19/h4-6,8H,3,7H2,1-2H3,(H,21,25)
• InChIKey: YKSHENBJFIOPKN-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 87.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017732) is 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cc3cccc(C#N)c3F)cc(=O)n12.

What is the InChIKey of 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?

The InChIKey is YKSHENBJFIOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-3-21-17(25)16-10(2)26-18-22-13(8-14(24)23(16)18)7-11-5-4-6-12(9-20)15(11)19/h4-6,8H,3,7H2,1-2H3,(H,21,25).

What are the key properties of 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?

7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-cyano-2-fluorophenyl)methyl]-N-ethyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).