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

C20H14FN5O3S — CID 121026812

IUPAC3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C20H14FN5O3S/c21-15-6-2-1-4-13(15)10-26-18(28)14(9-23-20(26)29)17(27)25-19-24-16(11-30-19)12-5-3-7-22-8-12/h1-9,11H,10H2,(H,23,29)(H,24,25,27)
InChIKeyOZWLKZWHBHBMRW-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.49
Rot. Bonds5

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

3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 121026812) has the molecular formula C20H14FN5O3S and a molecular weight of 423.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
PubChem CID121026812
Molecular FormulaC20H14FN5O3S
Molecular Weight423.43 g/mol
Exact Mass423.08
IUPAC Name3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C20H14FN5O3S/c21-15-6-2-1-4-13(15)10-26-18(28)14(9-23-20(26)29)17(27)25-19-24-16(11-30-19)12-5-3-7-22-8-12/h1-9,11H,10H2,(H,23,29)(H,24,25,27)
InChIKeyOZWLKZWHBHBMRW-UHFFFAOYSA-N
XLogP2.49
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide
CID 121026910
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide
CID 121026784
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026774
3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 165435259
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026754
5-acetyl-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80642970
3-[(2-fluorophenyl)methyl]-5-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121026825
3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide
CID 121027629
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenylbutan-2-yl)-1H-pyrimidine-5-carboxamide
CID 121026899
N-(4-bromo-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026744
2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 75466812

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide (CID 121026812) is 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is OZWLKZWHBHBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O3S/c21-15-6-2-1-4-13(15)10-26-18(28)14(9-23-20(26)29)17(27)25-19-24-16(11-30-19)12-5-3-7-22-8-12/h1-9,11H,10H2,(H,23,29)(H,24,25,27).
What are the key properties of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide?
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).