5-isoquinolin-5-ylthiophen-2-amine

C13H10N2S — CID 164918805

IUPAC5-isoquinolin-5-ylthiophen-2-amine
SMILESNc1ccc(-c2cccc3cnccc23)s1
InChIInChI=1S/C13H10N2S/c14-13-5-4-12(16-13)11-3-1-2-9-8-15-7-6-10(9)11/h1-8H,14H2
InChIKeyHAQUNFQDOPLKID-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.55
Rot. Bonds1

About 5-isoquinolin-5-ylthiophen-2-amine

5-isoquinolin-5-ylthiophen-2-amine (PubChem CID 164918805) has the molecular formula C13H10N2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-isoquinolin-5-ylthiophen-2-amine.

Molecular Properties

Compound Name5-isoquinolin-5-ylthiophen-2-amine
PubChem CID164918805
Molecular FormulaC13H10N2S
Molecular Weight226.30 g/mol
Exact Mass226.06
IUPAC Name5-isoquinolin-5-ylthiophen-2-amine
SMILESNc1ccc(-c2cccc3cnccc23)s1
InChIInChI=1S/C13H10N2S/c14-13-5-4-12(16-13)11-3-1-2-9-8-15-7-6-10(9)11/h1-8H,14H2
InChIKeyHAQUNFQDOPLKID-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-isoquinolin-5-ylthiophene-2-carbaldehyde
CID 43808666
cyclopropyl-(5-isoquinolin-5-ylthiophen-2-yl)methanone
CID 43808672
2-isoquinolin-5-ylaniline
CID 62812627
5-pyrimidin-5-ylisoquinoline
CID 141337488
ethane;isoquinolin-5-amine
CID 143675367
5-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 62717589
CID 159683901
CID 159683901
2-isoquinolin-5-ylbenzamide
CID 39817654
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
8-(5-isoquinolin-5-ylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one
CID 44562591
5-(furan-3-yl)isoquinoline
CID 102045200
5-(3-chlorophenyl)isoquinoline
CID 23602252

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-5-ylthiophen-2-amine?
The IUPAC name of 5-isoquinolin-5-ylthiophen-2-amine (CID 164918805) is 5-isoquinolin-5-ylthiophen-2-amine.
What is the SMILES notation for 5-isoquinolin-5-ylthiophen-2-amine?
The canonical SMILES for 5-isoquinolin-5-ylthiophen-2-amine is Nc1ccc(-c2cccc3cnccc23)s1.
What is the InChIKey of 5-isoquinolin-5-ylthiophen-2-amine?
The InChIKey is HAQUNFQDOPLKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S/c14-13-5-4-12(16-13)11-3-1-2-9-8-15-7-6-10(9)11/h1-8H,14H2.
What are the key properties of 5-isoquinolin-5-ylthiophen-2-amine?
5-isoquinolin-5-ylthiophen-2-amine has a molecular weight of 226.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-isoquinolin-5-ylthiophen-2-amine is sourced from PubChem (CID 164918805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).