3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine

C15H14N4S — CID 23737878

IUPAC3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nc(N(Cc2ccccc2)c2ccccc2)ns1
InChIInChI=1S/C15H14N4S/c16-14-17-15(18-20-14)19(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18)
InChIKeyYJUBBGWEDPOZMW-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.46
Rot. Bonds4

About 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine

3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 23737878) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID23737878
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nc(N(Cc2ccccc2)c2ccccc2)ns1
InChIInChI=1S/C15H14N4S/c16-14-17-15(18-20-14)19(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18)
InChIKeyYJUBBGWEDPOZMW-UHFFFAOYSA-N
XLogP3.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine (CID 23737878) is 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine is Nc1nc(N(Cc2ccccc2)c2ccccc2)ns1.
What is the InChIKey of 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is YJUBBGWEDPOZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-14-17-15(18-20-14)19(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,16,17,18).
What are the key properties of 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine?
3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 282.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-phenyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 23737878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).