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

C9H10FN5O2S — CID 63557396

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1snnc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10FN5O2S/c1-2-11-8-6(13-14-18-8)4-15-3-5(10)7(16)12-9(15)17/h3,11H,2,4H2,1H3,(H,12,16,17)
InChIKeyIROKDFCQYZZAGW-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.01
Rot. Bonds4

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

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63557396) has the molecular formula C9H10FN5O2S and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63557396
Molecular FormulaC9H10FN5O2S
Molecular Weight271.28 g/mol
Exact Mass271.05
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCCNc1snnc1Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H10FN5O2S/c1-2-11-8-6(13-14-18-8)4-15-3-5(10)7(16)12-9(15)17/h3,11H,2,4H2,1H3,(H,12,16,17)
InChIKeyIROKDFCQYZZAGW-UHFFFAOYSA-N
XLogP0.01
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-Aminothiadiazol-4-yl)methyl]-5-fluoropyrimidine-2,4-dione
CID 63556803
5-Fluoro-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557395
5-Fluoro-1-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 63557397
5-Fluoro-1-[(5-hydrazinylthiadiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 63559012
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265487
5-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265689
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4,5-trione
CID 55044679
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 55046622
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-5-nitropyrimidine-2,4-dione
CID 55239379
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 55239762
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 55239763
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidine-2,4,5-trione
CID 62209054

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione (CID 63557396) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione is CCNc1snnc1Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is IROKDFCQYZZAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2S/c1-2-11-8-6(13-14-18-8)4-15-3-5(10)7(16)12-9(15)17/h3,11H,2,4H2,1H3,(H,12,16,17).
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 271.28 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63557396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).