N-pyridin-4-ylthiadiazol-5-amine

C7H6N4S — CID 12638189

IUPACN-pyridin-4-ylthiadiazol-5-amine
SMILESc1cc(Nc2cnns2)ccn1
InChIInChI=1S/C7H6N4S/c1-3-8-4-2-6(1)10-7-5-9-11-12-7/h1-5H,(H,8,10)
InChIKeyMKLGRJGFTHKTQU-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.68
Rot. Bonds2

About N-pyridin-4-ylthiadiazol-5-amine

N-pyridin-4-ylthiadiazol-5-amine (PubChem CID 12638189) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is N-pyridin-4-ylthiadiazol-5-amine.

Molecular Properties

Compound NameN-pyridin-4-ylthiadiazol-5-amine
PubChem CID12638189
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC NameN-pyridin-4-ylthiadiazol-5-amine
SMILESc1cc(Nc2cnns2)ccn1
InChIInChI=1S/C7H6N4S/c1-3-8-4-2-6(1)10-7-5-9-11-12-7/h1-5H,(H,8,10)
InChIKeyMKLGRJGFTHKTQU-UHFFFAOYSA-N
XLogP1.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylthiadiazol-5-amine?
The IUPAC name of N-pyridin-4-ylthiadiazol-5-amine (CID 12638189) is N-pyridin-4-ylthiadiazol-5-amine.
What is the SMILES notation for N-pyridin-4-ylthiadiazol-5-amine?
The canonical SMILES for N-pyridin-4-ylthiadiazol-5-amine is c1cc(Nc2cnns2)ccn1.
What is the InChIKey of N-pyridin-4-ylthiadiazol-5-amine?
The InChIKey is MKLGRJGFTHKTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-3-8-4-2-6(1)10-7-5-9-11-12-7/h1-5H,(H,8,10).
What are the key properties of N-pyridin-4-ylthiadiazol-5-amine?
N-pyridin-4-ylthiadiazol-5-amine has a molecular weight of 178.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylthiadiazol-5-amine is sourced from PubChem (CID 12638189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).