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N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

C20H15FN4O2S — CID 50841598

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
SMILESCc1ccc(-c2nsc3c(=O)n(CC(=O)Nc4ccccc4F)cnc23)cc1
InChIInChI=1S/C20H15FN4O2S/c1-12-6-8-13(9-7-12)17-18-19(28-24-17)20(27)25(11-22-18)10-16(26)23-15-5-3-2-4-14(15)21/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyZZNUWXMVFJWUKY-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.61
Rot. Bonds4

About N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide (PubChem CID 50841598) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
PubChem CID50841598
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
SMILESCc1ccc(-c2nsc3c(=O)n(CC(=O)Nc4ccccc4F)cnc23)cc1
InChIInChI=1S/C20H15FN4O2S/c1-12-6-8-13(9-7-12)17-18-19(28-24-17)20(27)25(11-22-18)10-16(26)23-15-5-3-2-4-14(15)21/h2-9,11H,10H2,1H3,(H,23,26)
InChIKeyZZNUWXMVFJWUKY-UHFFFAOYSA-N
XLogP3.61
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide (CID 50841598) is N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide is Cc1ccc(-c2nsc3c(=O)n(CC(=O)Nc4ccccc4F)cnc23)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
The InChIKey is ZZNUWXMVFJWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-12-6-8-13(9-7-12)17-18-19(28-24-17)20(27)25(11-22-18)10-16(26)23-15-5-3-2-4-14(15)21/h2-9,11H,10H2,1H3,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 50841598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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