2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide

C24H20FN5O3S — CID 10504801

IUPAC2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide
SMILESNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nccs2)c1=O
InChIInChI=1S/C24H20FN5O3S/c25-17-8-6-16(7-9-17)22-28-13-18(26)24(33)30(22)14-20(31)29-19(12-15-4-2-1-3-5-15)21(32)23-27-10-11-34-23/h1-11,13,19H,12,14,26H2,(H,29,31)
InChIKeyISCYRTVYNLJNLW-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.70
Rot. Bonds8

About 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide (PubChem CID 10504801) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide
PubChem CID10504801
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide
SMILESNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nccs2)c1=O
InChIInChI=1S/C24H20FN5O3S/c25-17-8-6-16(7-9-17)22-28-13-18(26)24(33)30(22)14-20(31)29-19(12-15-4-2-1-3-5-15)21(32)23-27-10-11-34-23/h1-11,13,19H,12,14,26H2,(H,29,31)
InChIKeyISCYRTVYNLJNLW-UHFFFAOYSA-N
XLogP2.70
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide (CID 10504801) is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide is Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nccs2)c1=O.
What is the InChIKey of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide?
The InChIKey is ISCYRTVYNLJNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c25-17-8-6-16(7-9-17)22-28-13-18(26)24(33)30(22)14-20(31)29-19(12-15-4-2-1-3-5-15)21(32)23-27-10-11-34-23/h1-11,13,19H,12,14,26H2,(H,29,31).
What are the key properties of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide?
2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide has a molecular weight of 477.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[1-oxo-3-phenyl-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 10504801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).