N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine

C12H10N4S — CID 107649727

IUPACN-(isoquinolin-4-ylmethyl)thiadiazol-5-amine
SMILESc1ccc2c(CNc3cnns3)cncc2c1
InChIInChI=1S/C12H10N4S/c1-2-4-11-9(3-1)5-13-6-10(11)7-14-12-8-15-16-17-12/h1-6,8,14H,7H2
InChIKeyXULGOHOGXORJEU-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.70
Rot. Bonds3

About N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine

N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine (PubChem CID 107649727) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)thiadiazol-5-amine
PubChem CID107649727
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC NameN-(isoquinolin-4-ylmethyl)thiadiazol-5-amine
SMILESc1ccc2c(CNc3cnns3)cncc2c1
InChIInChI=1S/C12H10N4S/c1-2-4-11-9(3-1)5-13-6-10(11)7-14-12-8-15-16-17-12/h1-6,8,14H,7H2
InChIKeyXULGOHOGXORJEU-UHFFFAOYSA-N
XLogP2.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-(isoquinolin-4-ylmethyl)aniline
CID 104503929
N-(isoquinolin-4-ylmethyl)-2-methoxyaniline
CID 115884033
4-(chloromethyl)isoquinoline;hydrochloride
CID 12746379
4-(isoquinolin-4-ylmethylamino)benzonitrile
CID 115884762
N-(isoquinolin-4-ylmethyl)quinolin-4-amine
CID 174877636
N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
CID 112702946
2,6-dichloro-4-fluoro-N-(isoquinolin-4-ylmethyl)aniline
CID 104504008
N-(isoquinolin-4-ylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 103934047
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
isoquinolin-4-ylmethanethiol
CID 104505444
N-(isoquinolin-4-ylmethyl)-1,3-benzothiazol-6-amine
CID 103823632
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine (CID 107649727) is N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine is c1ccc2c(CNc3cnns3)cncc2c1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine?
The InChIKey is XULGOHOGXORJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-2-4-11-9(3-1)5-13-6-10(11)7-14-12-8-15-16-17-12/h1-6,8,14H,7H2.
What are the key properties of N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine?
N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine has a molecular weight of 242.31 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 N-(isoquinolin-4-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 107649727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).