N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine

C11H8N4S — CID 90713193

IUPACN-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2cc(Nc3nncs3)ccc2cn1
InChIInChI=1S/C11H8N4S/c1-2-10(14-11-15-13-7-16-11)5-8-3-4-12-6-9(1)8/h1-7H,(H,14,15)
InChIKeyCRLUYJNLSLIAEA-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.83
Rot. Bonds2

About N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine

N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine (PubChem CID 90713193) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
PubChem CID90713193
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC NameN-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine
SMILESc1cc2cc(Nc3nncs3)ccc2cn1
InChIInChI=1S/C11H8N4S/c1-2-10(14-11-15-13-7-16-11)5-8-3-4-12-6-9(1)8/h1-7H,(H,14,15)
InChIKeyCRLUYJNLSLIAEA-UHFFFAOYSA-N
XLogP2.83
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine (CID 90713193) is N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine is c1cc2cc(Nc3nncs3)ccc2cn1.
What is the InChIKey of N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is CRLUYJNLSLIAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c1-2-10(14-11-15-13-7-16-11)5-8-3-4-12-6-9(1)8/h1-7H,(H,14,15).
What are the key properties of N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine?
N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 228.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90713193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).