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

C10H10N4OS — CID 10823585

IUPAC1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H10N4OS/c15-9(13-10-14-12-7-16-10)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13,14,15)
InChIKeyLDKVMRNOUFHOST-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.86
Rot. Bonds3

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

1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 10823585) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID10823585
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCc1ccccc1)Nc1nncs1
InChIInChI=1S/C10H10N4OS/c15-9(13-10-14-12-7-16-10)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13,14,15)
InChIKeyLDKVMRNOUFHOST-UHFFFAOYSA-N
XLogP1.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea (CID 10823585) is 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea is O=C(NCc1ccccc1)Nc1nncs1.
What is the InChIKey of 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is LDKVMRNOUFHOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c15-9(13-10-14-12-7-16-10)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13,14,15).
What are the key properties of 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea?
1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 234.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 10823585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).