1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea

C5H7FN4OS — CID 130668369

IUPAC1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(NCCF)Nc1cnns1
InChIInChI=1S/C5H7FN4OS/c6-1-2-7-5(11)9-4-3-8-10-12-4/h3H,1-2H2,(H2,7,9,11)
InChIKeyWDKRAXLJSHZTOJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.63
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea

1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea (PubChem CID 130668369) has the molecular formula C5H7FN4OS and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea
PubChem CID130668369
Molecular FormulaC5H7FN4OS
Molecular Weight190.20 g/mol
Exact Mass190.03
IUPAC Name1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(NCCF)Nc1cnns1
InChIInChI=1S/C5H7FN4OS/c6-1-2-7-5(11)9-4-3-8-10-12-4/h3H,1-2H2,(H2,7,9,11)
InChIKeyWDKRAXLJSHZTOJ-UHFFFAOYSA-N
XLogP0.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloropropyl)-3-(thiadiazol-5-yl)urea
CID 118947678
1-(4-sulfanylbutyl)-3-(thiadiazol-5-yl)urea
CID 118947666
1-(4-sulfanylidenebutyl)-3-(thiadiazol-5-yl)urea
CID 118947664
2,2-dimethyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 114913207
3-bromo-N-(thiadiazol-5-yl)propanamide
CID 114912011
3-chloro-N-(thiadiazol-5-ylcarbamoyl)propanamide
CID 107649871
1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11379409
5-[(thiadiazol-5-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 114913031
1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
CID 90028590
(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 104983000
3,3,3-trifluoro-2-methyl-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 114913269
6-amino-4,4-dimethyl-N-(thiadiazol-5-yl)hexanamide
CID 114912229

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea (CID 130668369) is 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea is O=C(NCCF)Nc1cnns1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is WDKRAXLJSHZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4OS/c6-1-2-7-5(11)9-4-3-8-10-12-4/h3H,1-2H2,(H2,7,9,11).
What are the key properties of 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea?
1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 190.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 130668369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).