5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C13H13N5S2 — CID 106948830

IUPAC5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc3cnccc3c2N)s1
InChIInChI=1S/C13H13N5S2/c1-18(2)12-16-17-13(20-12)19-10-4-3-8-7-15-6-5-9(8)11(10)14/h3-7H,14H2,1-2H3
InChIKeyCYJVUEUPNWVGDQ-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.89
Rot. Bonds3

About 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 106948830) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID106948830
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC Name5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ccc3cnccc3c2N)s1
InChIInChI=1S/C13H13N5S2/c1-18(2)12-16-17-13(20-12)19-10-4-3-8-7-15-6-5-9(8)11(10)14/h3-7H,14H2,1-2H3
InChIKeyCYJVUEUPNWVGDQ-UHFFFAOYSA-N
XLogP2.89
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]isoquinolin-5-amine
CID 106948847
6-propylsulfanylisoquinolin-5-amine
CID 106948782
6-(3,4-dichlorophenyl)sulfanylisoquinolin-5-amine
CID 106948836
3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
CID 63737454
5-[2-(aminomethyl)-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738353
5-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55243373
2-[(5-aminoisoquinolin-6-yl)-propan-2-ylamino]acetamide
CID 106947872
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)isoquinolin-5-amine
CID 106948786
5-[[6-(1-aminoethyl)-3-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 83123666
5-[4-[(1S)-1-aminoethyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738712
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine
CID 79883182
5-(2-hydrazinylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931266

Frequently Asked Questions

What is the IUPAC name of 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 106948830) is 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2ccc3cnccc3c2N)s1.
What is the InChIKey of 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CYJVUEUPNWVGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-18(2)12-16-17-13(20-12)19-10-4-3-8-7-15-6-5-9(8)11(10)14/h3-7H,14H2,1-2H3.
What are the key properties of 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 303.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminoisoquinolin-6-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106948830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).