N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine

C14H13N3S — CID 115925880

IUPACN-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine
SMILESCC(Nc1cccc2cnccc12)c1cncs1
InChIInChI=1S/C14H13N3S/c1-10(14-8-16-9-18-14)17-13-4-2-3-11-7-15-6-5-12(11)13/h2-10,17H,1H3
InChIKeyXIISZTSLDYQLQP-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine

N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine (PubChem CID 115925880) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine
PubChem CID115925880
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine
SMILESCC(Nc1cccc2cnccc12)c1cncs1
InChIInChI=1S/C14H13N3S/c1-10(14-8-16-9-18-14)17-13-4-2-3-11-7-15-6-5-12(11)13/h2-10,17H,1H3
InChIKeyXIISZTSLDYQLQP-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-8-amine
CID 113354954
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
CID 43681370
5-[1-(isoquinolin-5-ylamino)ethyl]benzene-1,3-diol
CID 107705516
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681331
8-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 115928670
N-[1-(2,5-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681276
2-(isoquinolin-5-ylamino)propanoic acid
CID 66172493
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916957
N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
CID 116534270

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine?
The IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine (CID 115925880) is N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine?
The canonical SMILES for N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine is CC(Nc1cccc2cnccc12)c1cncs1.
What is the InChIKey of N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine?
The InChIKey is XIISZTSLDYQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10(14-8-16-9-18-14)17-13-4-2-3-11-7-15-6-5-12(11)13/h2-10,17H,1H3.
What are the key properties of N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine?
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine has a molecular weight of 255.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-5-amine is sourced from PubChem (CID 115925880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).