1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

C10H6BrF3N4OS — CID 132795739

IUPAC1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H6BrF3N4OS/c11-5-1-3-6(4-2-5)15-8(19)16-9-18-17-7(20-9)10(12,13)14/h1-4H,(H2,15,16,18,19)
InChIKeyORALXTLIOJGPPS-UHFFFAOYSA-N
MW367.15 g/mol
LogP3.96
Rot. Bonds2

About 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea

1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 132795739) has the molecular formula C10H6BrF3N4OS and a molecular weight of 367.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID132795739
Molecular FormulaC10H6BrF3N4OS
Molecular Weight367.15 g/mol
Exact Mass365.94
IUPAC Name1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H6BrF3N4OS/c11-5-1-3-6(4-2-5)15-8(19)16-9-18-17-7(20-9)10(12,13)14/h1-4H,(H2,15,16,18,19)
InChIKeyORALXTLIOJGPPS-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Bromophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiourea
CID 155511444
1-(4-Bromophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 155528394
1-Phenyl-3-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-urea
CID 2800908
1-[4-Bromo-2-(trifluoromethyl)phenyl]-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 155525500
1-(4-Fluorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 881007
1-(5-Ethyl-1,3,4-thiadiazol-2-yl)-3-(2-fluorophenyl)urea
CID 881078
1-(4-Fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 881101
1-(5-Methyl-1,3,4-thiadiazol-2-yl)-3-phenylurea
CID 729600
1-(4-Bromo-2-fluorophenyl)-3-[5-(pyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]urea
CID 22510538
1-(2-Fluorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 881073
1-(2-Fluorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 947416
1-(5-Butyl-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)urea
CID 1934859

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea (CID 132795739) is 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is ORALXTLIOJGPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N4OS/c11-5-1-3-6(4-2-5)15-8(19)16-9-18-17-7(20-9)10(12,13)14/h1-4H,(H2,15,16,18,19).
What are the key properties of 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea?
1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 367.15 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 132795739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).