2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C16H13FN4O3S2 — CID 135476446

IUPAC2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1c(O)nc(SCC(=O)Nc2nccs2)n(-c2ccccc2F)c1=O
InChIInChI=1S/C16H13FN4O3S2/c1-9-13(23)20-16(26-8-12(22)19-15-18-6-7-25-15)21(14(9)24)11-5-3-2-4-10(11)17/h2-7,23H,8H2,1H3,(H,18,19,22)
InChIKeySQDDRNDAHIDMDT-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.57
Rot. Bonds5

About 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135476446) has the molecular formula C16H13FN4O3S2 and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135476446
Molecular FormulaC16H13FN4O3S2
Molecular Weight392.44 g/mol
Exact Mass392.04
IUPAC Name2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1c(O)nc(SCC(=O)Nc2nccs2)n(-c2ccccc2F)c1=O
InChIInChI=1S/C16H13FN4O3S2/c1-9-13(23)20-16(26-8-12(22)19-15-18-6-7-25-15)21(14(9)24)11-5-3-2-4-10(11)17/h2-7,23H,8H2,1H3,(H,18,19,22)
InChIKeySQDDRNDAHIDMDT-UHFFFAOYSA-N
XLogP2.57
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-oxo-3-(3,4,5-trifluorophenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 53308404
2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 8762685
2-[[5-(4-chlorophenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 35688032
N-(2,6-dimethylphenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532517
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 31400736
2-[4-oxo-3-[2-[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 46370345
2-[[3-(2-methoxyphenyl)-4-oxo-7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 95916962
2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 43812865
2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 162655134
2-chloro-N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-6-fluorobenzamide
CID 3432865
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 1136268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 135476446) is 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1c(O)nc(SCC(=O)Nc2nccs2)n(-c2ccccc2F)c1=O.
What is the InChIKey of 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SQDDRNDAHIDMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S2/c1-9-13(23)20-16(26-8-12(22)19-15-18-6-7-25-15)21(14(9)24)11-5-3-2-4-10(11)17/h2-7,23H,8H2,1H3,(H,18,19,22).
What are the key properties of 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-4-hydroxy-5-methyl-6-oxopyrimidin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135476446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).