1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea

C9H7ClN4OS — CID 727853

IUPAC1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nncs1
InChIInChI=1S/C9H7ClN4OS/c10-6-2-1-3-7(4-6)12-8(15)13-9-14-11-5-16-9/h1-5H,(H2,12,13,14,15)
InChIKeyJLTZFJGQPPKCRS-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.84
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 727853) has the molecular formula C9H7ClN4OS and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID727853
Molecular FormulaC9H7ClN4OS
Molecular Weight254.70 g/mol
Exact Mass254.00
IUPAC Name1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nncs1
InChIInChI=1S/C9H7ClN4OS/c10-6-2-1-3-7(4-6)12-8(15)13-9-14-11-5-16-9/h1-5H,(H2,12,13,14,15)
InChIKeyJLTZFJGQPPKCRS-UHFFFAOYSA-N
XLogP2.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 727853) is 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1nncs1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is JLTZFJGQPPKCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4OS/c10-6-2-1-3-7(4-6)12-8(15)13-9-14-11-5-16-9/h1-5H,(H2,12,13,14,15).
What are the key properties of 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 254.70 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 727853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).