(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine

C14H14N4S — CID 105147328

IUPAC(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine
SMILESCCc1nnsc1C(N)c1cncc2ccccc12
InChIInChI=1S/C14H14N4S/c1-2-12-14(19-18-17-12)13(15)11-8-16-7-9-5-3-4-6-10(9)11/h3-8,13H,2,15H2,1H3
InChIKeyUVRYFRKXTFZUOY-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.70
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine

(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine (PubChem CID 105147328) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine
PubChem CID105147328
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine
SMILESCCc1nnsc1C(N)c1cncc2ccccc12
InChIInChI=1S/C14H14N4S/c1-2-12-14(19-18-17-12)13(15)11-8-16-7-9-5-3-4-6-10(9)11/h3-8,13H,2,15H2,1H3
InChIKeyUVRYFRKXTFZUOY-UHFFFAOYSA-N
XLogP2.70
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethylthiophen-2-yl)-isoquinolin-4-ylmethanamine
CID 115856155
isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097636
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
(5-ethylfuran-2-yl)-isoquinolin-4-ylmethanamine
CID 115856186
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
1-isoquinolin-4-ylnonan-1-amine
CID 115856304

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine?
The IUPAC name of (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine (CID 105147328) is (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine is CCc1nnsc1C(N)c1cncc2ccccc12.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine?
The InChIKey is UVRYFRKXTFZUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-12-14(19-18-17-12)13(15)11-8-16-7-9-5-3-4-6-10(9)11/h3-8,13H,2,15H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine?
(4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-isoquinolin-4-ylmethanamine is sourced from PubChem (CID 105147328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).