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

C14H15F3N4OS — CID 166237009

IUPAC1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1csnn1
InChIInChI=1S/C14H15F3N4OS/c1-9(12-8-23-21-20-12)19-13(22)18-7-6-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22)
InChIKeyXSLWHMFALOAPFJ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.16
Rot. Bonds5

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

1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 166237009) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID166237009
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
SMILESCC(NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1csnn1
InChIInChI=1S/C14H15F3N4OS/c1-9(12-8-23-21-20-12)19-13(22)18-7-6-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22)
InChIKeyXSLWHMFALOAPFJ-UHFFFAOYSA-N
XLogP3.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]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-Methyl-3-[[4-(thiadiazol-4-yl)phenyl]methyl]urea
CID 2739228
1-(2,5-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674257
1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43680864
1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681012
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723813
N-(thiadiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43726987
1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 54863661
1-(2,6-difluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 54864212
1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 61035316
N-(thiadiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 62881644
1-(3-fluoro-4-methylphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 80301670
N-[[2-methyl-4-(trifluoromethyl)phenyl]-(thiadiazol-4-yl)methyl]propan-1-amine
CID 102757560

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea (CID 166237009) is 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is CC(NC(=O)NCCc1ccc(C(F)(F)F)cc1)c1csnn1.
What is the InChIKey of 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is XSLWHMFALOAPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-9(12-8-23-21-20-12)19-13(22)18-7-6-10-2-4-11(5-3-10)14(15,16)17/h2-5,8-9H,6-7H2,1H3,(H2,18,19,22).
What are the key properties of 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea?
1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 344.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiadiazol-4-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 166237009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).