N-(thian-4-yl)isoquinolin-5-amine

C14H16N2S — CID 43681409

IUPACN-(thian-4-yl)isoquinolin-5-amine
SMILESc1cc(NC2CCSCC2)c2ccncc2c1
InChIInChI=1S/C14H16N2S/c1-2-11-10-15-7-4-13(11)14(3-1)16-12-5-8-17-9-6-12/h1-4,7,10,12,16H,5-6,8-9H2
InChIKeyMSUVQPHTEBKCNL-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.54
Rot. Bonds2

About N-(thian-4-yl)isoquinolin-5-amine

N-(thian-4-yl)isoquinolin-5-amine (PubChem CID 43681409) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(thian-4-yl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(thian-4-yl)isoquinolin-5-amine
PubChem CID43681409
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-(thian-4-yl)isoquinolin-5-amine
SMILESc1cc(NC2CCSCC2)c2ccncc2c1
InChIInChI=1S/C14H16N2S/c1-2-11-10-15-7-4-13(11)14(3-1)16-12-5-8-17-9-6-12/h1-4,7,10,12,16H,5-6,8-9H2
InChIKeyMSUVQPHTEBKCNL-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(thian-4-yl)isoquinolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylpiperidin-4-yl)isoquinolin-5-amine
CID 43681291
N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
CID 44594455
N-(1,2,3,4-tetrahydronaphthalen-2-yl)isoquinolin-5-amine
CID 43780496
N-(2-methylthian-3-yl)isoquinolin-5-amine
CID 79957197
N-(4-propylcycloheptyl)isoquinolin-5-amine
CID 65086322
N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 11722582
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512
N-(2,2-dimethylcyclohexyl)isoquinolin-5-amine
CID 79829205
1-cyclopropyl-3-isoquinolin-5-ylthiourea
CID 27012724
N-cyclopentylisoquinolin-4-amine
CID 115908742
N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024836
2-methyl-N-(thian-4-yl)quinolin-8-amine
CID 62953597

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)isoquinolin-5-amine?
The IUPAC name of N-(thian-4-yl)isoquinolin-5-amine (CID 43681409) is N-(thian-4-yl)isoquinolin-5-amine.
What is the SMILES notation for N-(thian-4-yl)isoquinolin-5-amine?
The canonical SMILES for N-(thian-4-yl)isoquinolin-5-amine is c1cc(NC2CCSCC2)c2ccncc2c1.
What is the InChIKey of N-(thian-4-yl)isoquinolin-5-amine?
The InChIKey is MSUVQPHTEBKCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-11-10-15-7-4-13(11)14(3-1)16-12-5-8-17-9-6-12/h1-4,7,10,12,16H,5-6,8-9H2.
What are the key properties of N-(thian-4-yl)isoquinolin-5-amine?
N-(thian-4-yl)isoquinolin-5-amine has a molecular weight of 244.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)isoquinolin-5-amine is sourced from PubChem (CID 43681409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).