6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine

C12H10N4S2 — CID 106948847

IUPAC6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
SMILESCc1nsc(Sc2ccc3cnccc3c2N)n1
InChIInChI=1S/C12H10N4S2/c1-7-15-12(18-16-7)17-10-3-2-8-6-14-5-4-9(8)11(10)13/h2-6H,13H2,1H3
InChIKeyMREFJMJJYZWXSM-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.13
Rot. Bonds2

About 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine

6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine (PubChem CID 106948847) has the molecular formula C12H10N4S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine.

Molecular Properties

Compound Name6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
PubChem CID106948847
Molecular FormulaC12H10N4S2
Molecular Weight274.37 g/mol
Exact Mass274.03
IUPAC Name6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
SMILESCc1nsc(Sc2ccc3cnccc3c2N)n1
InChIInChI=1S/C12H10N4S2/c1-7-15-12(18-16-7)17-10-3-2-8-6-14-5-4-9(8)11(10)13/h2-6H,13H2,1H3
InChIKeyMREFJMJJYZWXSM-UHFFFAOYSA-N
XLogP3.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106948830
6-propylsulfanylisoquinolin-5-amine
CID 106948782
6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine
CID 106948836
2-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzamide
CID 115547709
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
CID 106948786
5-amino-N-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 103287963
3-(5-aminoisoquinolin-6-yl)sulfanylpropan-1-ol
CID 106948839
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
CID 65275072
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
CID 65275069
6-[(4-chlorophenyl)methylsulfanyl]isoquinolin-5-amine
CID 106948852
3,8-phenanthroline
CID 13064691
4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 82898337

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine?
The IUPAC name of 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine (CID 106948847) is 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine.
What is the SMILES notation for 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine?
The canonical SMILES for 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine is Cc1nsc(Sc2ccc3cnccc3c2N)n1.
What is the InChIKey of 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine?
The InChIKey is MREFJMJJYZWXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S2/c1-7-15-12(18-16-7)17-10-3-2-8-6-14-5-4-9(8)11(10)13/h2-6H,13H2,1H3.
What are the key properties of 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine?
6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine has a molecular weight of 274.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine is sourced from PubChem (CID 106948847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).