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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Related Compounds

N-(5-bromo-2-pyridinyl)isoquinolin-6-amine
CID 134194515
N-(1,3-benzodioxol-5-yl)isoquinolin-6-amine
CID 82582591
N-(6-methyl-3-pyridinyl)isoquinolin-7-amine
CID 160767856
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
N-(3-methyl-4-propan-2-ylphenyl)isoquinolin-7-amine
CID 91217770
6-fluoro-2-(isoquinolin-6-ylamino)pyridine-3-carboxamide
CID 141334616
5-isoquinolin-6-yl-1,3-thiazole
CID 168925552
N-isoquinolin-6-ylquinolin-5-amine
CID 164533991
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
N-(azetidin-3-yl)isoquinolin-6-amine;hydrochloride
CID 68592235
ethane;N-(4-ethyl-5-methyl-2-pyridinyl)isoquinolin-6-amine
CID 171557532
N-(4-iodo-5-methyl-2-pyridinyl)isoquinolin-7-amine
CID 177055978

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).