4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine

C8H9N5S — CID 131062508

IUPAC4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine
SMILESNc1cc(NCc2cnns2)ccn1
InChIInChI=1S/C8H9N5S/c9-8-3-6(1-2-10-8)11-4-7-5-12-13-14-7/h1-3,5H,4H2,(H3,9,10,11)
InChIKeyWFEOJESCXPTLFU-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.13
Rot. Bonds3

About 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine

4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine (PubChem CID 131062508) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine
PubChem CID131062508
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine
SMILESNc1cc(NCc2cnns2)ccn1
InChIInChI=1S/C8H9N5S/c9-8-3-6(1-2-10-8)11-4-7-5-12-13-14-7/h1-3,5H,4H2,(H3,9,10,11)
InChIKeyWFEOJESCXPTLFU-UHFFFAOYSA-N
XLogP1.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine (CID 131062508) is 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine is Nc1cc(NCc2cnns2)ccn1.
What is the InChIKey of 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine?
The InChIKey is WFEOJESCXPTLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c9-8-3-6(1-2-10-8)11-4-7-5-12-13-14-7/h1-3,5H,4H2,(H3,9,10,11).
What are the key properties of 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine?
4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine has a molecular weight of 207.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(thiadiazol-5-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 131062508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).