N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine

C14H13N3S — CID 66386138

IUPACN-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine
SMILESNc1ccsc1CNc1cccc2cnccc12
InChIInChI=1S/C14H13N3S/c15-12-5-7-18-14(12)9-17-13-3-1-2-10-8-16-6-4-11(10)13/h1-8,17H,9,15H2
InChIKeyKYIVOGBHOAGGIU-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.49
Rot. Bonds3

About N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine

N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine (PubChem CID 66386138) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine
PubChem CID66386138
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine
SMILESNc1ccsc1CNc1cccc2cnccc12
InChIInChI=1S/C14H13N3S/c15-12-5-7-18-14(12)9-17-13-3-1-2-10-8-16-6-4-11(10)13/h1-8,17H,9,15H2
InChIKeyKYIVOGBHOAGGIU-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine
CID 66387358
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732
N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
CID 79419365
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
6-N-(1,3-thiazol-2-ylmethyl)isoquinoline-5,6-diamine
CID 106947735
N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine
CID 60683568
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
isoquinolin-5-ylthiourea
CID 1480924

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine (CID 66386138) is N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine is Nc1ccsc1CNc1cccc2cnccc12.
What is the InChIKey of N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine?
The InChIKey is KYIVOGBHOAGGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-12-5-7-18-14(12)9-17-13-3-1-2-10-8-16-6-4-11(10)13/h1-8,17H,9,15H2.
What are the key properties of N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine?
N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine has a molecular weight of 255.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 66386138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).