1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea

C7H9F3N4O3S — CID 167831574

IUPAC1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea
SMILESO=C(Nc1cnns1)NC(CO)(CO)C(F)(F)F
InChIInChI=1S/C7H9F3N4O3S/c8-7(9,10)6(2-15,3-16)13-5(17)12-4-1-11-14-18-4/h1,15-16H,2-3H2,(H2,12,13,17)
InChIKeyHVFHZFSQFLNARV-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.05
Rot. Bonds4

About 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea

1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea (PubChem CID 167831574) has the molecular formula C7H9F3N4O3S and a molecular weight of 286.24 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea
PubChem CID167831574
Molecular FormulaC7H9F3N4O3S
Molecular Weight286.24 g/mol
Exact Mass286.03
IUPAC Name1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea
SMILESO=C(Nc1cnns1)NC(CO)(CO)C(F)(F)F
InChIInChI=1S/C7H9F3N4O3S/c8-7(9,10)6(2-15,3-16)13-5(17)12-4-1-11-14-18-4/h1,15-16H,2-3H2,(H2,12,13,17)
InChIKeyHVFHZFSQFLNARV-UHFFFAOYSA-N
XLogP-0.05
TPSA107.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

CID 114913269
CID 114913269
CID 118947576
CID 118947576
CID 118947671
CID 118947671
CID 118947734
CID 118947734
CID 130701572
CID 130701572

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea?
The IUPAC name of 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea (CID 167831574) is 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea.
What is the SMILES notation for 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea?
The canonical SMILES for 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea is O=C(Nc1cnns1)NC(CO)(CO)C(F)(F)F.
What is the InChIKey of 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea?
The InChIKey is HVFHZFSQFLNARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O3S/c8-7(9,10)6(2-15,3-16)13-5(17)12-4-1-11-14-18-4/h1,15-16H,2-3H2,(H2,12,13,17).
What are the key properties of 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea?
1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea has a molecular weight of 286.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)-3-[1,1,1-trifluoro-3-hydroxy-2-(hydroxymethyl)propan-2-yl]urea is sourced from PubChem (CID 167831574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).