1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea

C5H5F3N4OS — CID 134096795

IUPAC1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea
SMILESCNC(=O)Nc1snnc1C(F)(F)F
InChIInChI=1S/C5H5F3N4OS/c1-9-4(13)10-3-2(5(6,7)8)11-12-14-3/h1H3,(H2,9,10,13)
InChIKeyKIDZBUAIFISSOK-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.31
Rot. Bonds1

About 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea

1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea (PubChem CID 134096795) has the molecular formula C5H5F3N4OS and a molecular weight of 226.18 g/mol. Its IUPAC name is 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea
PubChem CID134096795
Molecular FormulaC5H5F3N4OS
Molecular Weight226.18 g/mol
Exact Mass226.01
IUPAC Name1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea
SMILESCNC(=O)Nc1snnc1C(F)(F)F
InChIInChI=1S/C5H5F3N4OS/c1-9-4(13)10-3-2(5(6,7)8)11-12-14-3/h1H3,(H2,9,10,13)
InChIKeyKIDZBUAIFISSOK-UHFFFAOYSA-N
XLogP1.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea?
The IUPAC name of 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea (CID 134096795) is 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea.
What is the SMILES notation for 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea?
The canonical SMILES for 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea is CNC(=O)Nc1snnc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea?
The InChIKey is KIDZBUAIFISSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4OS/c1-9-4(13)10-3-2(5(6,7)8)11-12-14-3/h1H3,(H2,9,10,13).
What are the key properties of 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea?
1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea has a molecular weight of 226.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea is sourced from PubChem (CID 134096795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).