1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea

C13H14Cl2N4OS — CID 166237015

IUPAC1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1ccc(Cl)cc1Cl)c1csnn1
InChIInChI=1S/C13H14Cl2N4OS/c1-8(12-7-21-19-18-12)17-13(20)16-5-4-9-2-3-10(14)6-11(9)15/h2-3,6-8H,4-5H2,1H3,(H2,16,17,20)
InChIKeySBDHWSHNSCLIJF-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.45
Rot. Bonds5

About 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea

1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea (PubChem CID 166237015) has the molecular formula C13H14Cl2N4OS and a molecular weight of 345.26 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
PubChem CID166237015
Molecular FormulaC13H14Cl2N4OS
Molecular Weight345.26 g/mol
Exact Mass344.03
IUPAC Name1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea
SMILESCC(NC(=O)NCCc1ccc(Cl)cc1Cl)c1csnn1
InChIInChI=1S/C13H14Cl2N4OS/c1-8(12-7-21-19-18-12)17-13(20)16-5-4-9-2-3-10(14)6-11(9)15/h2-3,6-8H,4-5H2,1H3,(H2,16,17,20)
InChIKeySBDHWSHNSCLIJF-UHFFFAOYSA-N
XLogP3.45
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea (CID 166237015) is 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea is CC(NC(=O)NCCc1ccc(Cl)cc1Cl)c1csnn1.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
The InChIKey is SBDHWSHNSCLIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4OS/c1-8(12-7-21-19-18-12)17-13(20)16-5-4-9-2-3-10(14)6-11(9)15/h2-3,6-8H,4-5H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea?
1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea has a molecular weight of 345.26 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)ethyl]-3-[1-(thiadiazol-4-yl)ethyl]urea is sourced from PubChem (CID 166237015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).