3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C20H15FN4O4S — CID 121123707

IUPAC3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C20H15FN4O4S/c1-11-16(30-18(24-11)15-3-2-8-29-15)10-22-17(26)14-9-23-20(28)25(19(14)27)13-6-4-12(21)5-7-13/h2-9H,10H2,1H3,(H,22,26)(H,23,28)
InChIKeyWWRGFLVDIAJLIM-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.62
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121123707) has the molecular formula C20H15FN4O4S and a molecular weight of 426.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121123707
Molecular FormulaC20H15FN4O4S
Molecular Weight426.43 g/mol
Exact Mass426.08
IUPAC Name3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(-c2ccco2)sc1CNC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C20H15FN4O4S/c1-11-16(30-18(24-11)15-3-2-8-29-15)10-22-17(26)14-9-23-20(28)25(19(14)27)13-6-4-12(21)5-7-13/h2-9H,10H2,1H3,(H,22,26)(H,23,28)
InChIKeyWWRGFLVDIAJLIM-UHFFFAOYSA-N
XLogP2.62
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 121123478
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1H-indole-3-carboxamide
CID 121123680
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 121123734
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121123601
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 121123610
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
3-(2-methoxyphenyl)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 90547204
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]pyrazine-2-carboxamide
CID 121123691
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanecarboxamide
CID 121123450
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121123707) is 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1nc(-c2ccco2)sc1CNC(=O)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WWRGFLVDIAJLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O4S/c1-11-16(30-18(24-11)15-3-2-8-29-15)10-22-17(26)14-9-23-20(28)25(19(14)27)13-6-4-12(21)5-7-13/h2-9H,10H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121123707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).