1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione

C10H11FN4O2S — CID 79774180

IUPAC1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H11FN4O2S/c1-2-12-9-13-3-6(18-9)4-15-5-7(11)8(16)14-10(15)17/h3,5H,2,4H2,1H3,(H,12,13)(H,14,16,17)
InChIKeyKJXJYHLKYOAFDW-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.61
Rot. Bonds4

About 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione

1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 79774180) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID79774180
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C10H11FN4O2S/c1-2-12-9-13-3-6(18-9)4-15-5-7(11)8(16)14-10(15)17/h3,5H,2,4H2,1H3,(H,12,13)(H,14,16,17)
InChIKeyKJXJYHLKYOAFDW-UHFFFAOYSA-N
XLogP0.61
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione (CID 79774180) is 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione is CCNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is KJXJYHLKYOAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-2-12-9-13-3-6(18-9)4-15-5-7(11)8(16)14-10(15)17/h3,5H,2,4H2,1H3,(H,12,13)(H,14,16,17).
What are the key properties of 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 79774180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).