1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea

C10H7F3N4OS — CID 21498379

IUPAC1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1nncs1
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)6-1-3-7(4-2-6)15-8(18)16-9-17-14-5-19-9/h1-5H,(H2,15,16,17,18)
InChIKeyUILRNVTZWUEAFY-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.20
Rot. Bonds2

About 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea

1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 21498379) has the molecular formula C10H7F3N4OS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID21498379
Molecular FormulaC10H7F3N4OS
Molecular Weight288.25 g/mol
Exact Mass288.03
IUPAC Name1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1nncs1
InChIInChI=1S/C10H7F3N4OS/c11-10(12,13)6-1-3-7(4-2-6)15-8(18)16-9-17-14-5-19-9/h1-5H,(H2,15,16,17,18)
InChIKeyUILRNVTZWUEAFY-UHFFFAOYSA-N
XLogP3.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Urea, N-phenyl-N'-1,3,4-thiadiazol-2-yl-
CID 100304
1-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)urea
CID 2476754
1-(5-Propylsulfanyl-[1,3,4]thiadiazol-2-yl)-3-p-tolyl-urea
CID 1907238
3-{5-[Benzyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-(4-methylphenyl)urea
CID 16016656
3-{5-[Ethyl(phenyl)amino]-1,3,4-thiadiazol-2-YL}-1-[3-(trifluoromethyl)phenyl]urea
CID 16016839
1-(4-Cyanophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 326858
3-{5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-YL}-1-[3-(trifluoromethyl)phenyl]urea
CID 16016781
3-{5-[Ethyl(phenyl)amino]-1,3,4-thiadiazol-2-YL}-1-(4-methylphenyl)urea
CID 16016843
3-[5-(Azepan-1-YL)-1,3,4-thiadiazol-2-YL]-1-[3-(trifluoromethyl)phenyl]urea
CID 16016849
1-{5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-(2-fluorophenyl)urea
CID 1335316
1-(5-Ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
1-[5-[Cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16016638

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea (CID 21498379) is 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1nncs1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is UILRNVTZWUEAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4OS/c11-10(12,13)6-1-3-7(4-2-6)15-8(18)16-9-17-14-5-19-9/h1-5H,(H2,15,16,17,18).
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 288.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 21498379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).