3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine

C12H10N6S — CID 42597046

IUPAC3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine
SMILESc1cc(Nc2nsc(Nc3ccncc3)n2)ccn1
InChIInChI=1S/C12H10N6S/c1-5-13-6-2-9(1)15-11-17-12(19-18-11)16-10-3-7-14-8-4-10/h1-8H,(H2,13,14,15,16,17,18)
InChIKeyPYLRKVOZUCZBLA-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.82
Rot. Bonds4

About 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine

3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 42597046) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine
PubChem CID42597046
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine
SMILESc1cc(Nc2nsc(Nc3ccncc3)n2)ccn1
InChIInChI=1S/C12H10N6S/c1-5-13-6-2-9(1)15-11-17-12(19-18-11)16-10-3-7-14-8-4-10/h1-8H,(H2,13,14,15,16,17,18)
InChIKeyPYLRKVOZUCZBLA-UHFFFAOYSA-N
XLogP2.82
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N'-Di-2-pyridinylthiourea
CID 702572
Mls000737238
CID 266151
3,5-Dipyridin-3-yl-1,2,4-thiadiazole
CID 10538018
N-[3-(2-Pyridinyl)-1,2,4-thiadiazol-5-yl]-2-pyridinamine
CID 155230364
N-Phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 690669
N-(4-anilinophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 2015329
N-propyl-5-(2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52947055
1-{(E)-[(4,6-dimethylpyrimidin-2-yl)amino][(pyridin-3-ylmethyl)amino]methylidene}-3-ethylthiourea
CID 2214036
4-pyridin-2-yl-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 746607
N-(3-methyl-2-pyridinyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 162658008
4-methyl-N-(pyridin-3-yl)pyrimidin-2-amine
CID 51361044
3-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-phenyl-1,2,4-thiadiazol-5-amine
CID 2739901

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine (CID 42597046) is 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine is c1cc(Nc2nsc(Nc3ccncc3)n2)ccn1.
What is the InChIKey of 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is PYLRKVOZUCZBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S/c1-5-13-6-2-9(1)15-11-17-12(19-18-11)16-10-3-7-14-8-4-10/h1-8H,(H2,13,14,15,16,17,18).
What are the key properties of 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine?
3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 270.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 42597046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).