1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

C10H10FN3O3S — CID 114126885

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCc1cnc(Cn2c(O)c(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H10FN3O3S/c1-2-5-3-12-6(18-5)4-14-9(16)7(11)8(15)13-10(14)17/h3,16H,2,4H2,1H3,(H,13,15,17)
InChIKeyFTRCDAHWJUQVIA-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.45
Rot. Bonds3

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (PubChem CID 114126885) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
PubChem CID114126885
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
SMILESCCc1cnc(Cn2c(O)c(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H10FN3O3S/c1-2-5-3-12-6(18-5)4-14-9(16)7(11)8(15)13-10(14)17/h3,16H,2,4H2,1H3,(H,13,15,17)
InChIKeyFTRCDAHWJUQVIA-UHFFFAOYSA-N
XLogP0.45
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-Ethyl-1,3-thiazol-2-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 104002556
1-[1-(5-Ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-1,3-diazinane-2,4,6-trione
CID 104217400
6-chloro-5-fluoro-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372732
6-chloro-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 104372747
6-chloro-5-fluoro-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 105910598
6-chloro-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 105910635
5-Fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 112599965
5-Fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-dione
CID 112601074
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113245452
5-Fluoro-6-hydroxy-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 113387615
5-Fluoro-6-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 114126881
5-Ethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66329931

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione (CID 114126885) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is CCc1cnc(Cn2c(O)c(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
The InChIKey is FTRCDAHWJUQVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-2-5-3-12-6(18-5)4-14-9(16)7(11)8(15)13-10(14)17/h3,16H,2,4H2,1H3,(H,13,15,17).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione has a molecular weight of 271.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 114126885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).