1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine

C14H13N3S — CID 104504761

IUPAC1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
SMILESCC(N)c1csc(-c2cncc3ccccc23)n1
InChIInChI=1S/C14H13N3S/c1-9(15)13-8-18-14(17-13)12-7-16-6-10-4-2-3-5-11(10)12/h2-9H,15H2,1H3
InChIKeyLMURGUBDZOIXCN-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.38
Rot. Bonds2

About 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine

1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104504761) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID104504761
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine
SMILESCC(N)c1csc(-c2cncc3ccccc23)n1
InChIInChI=1S/C14H13N3S/c1-9(15)13-8-18-14(17-13)12-7-16-6-10-4-2-3-5-11(10)12/h2-9H,15H2,1H3
InChIKeyLMURGUBDZOIXCN-UHFFFAOYSA-N
XLogP3.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64542695
(1R)-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 95377650
1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544065
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanone
CID 113420193
1-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]ethanamine
CID 103445012
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545330
2-isoquinolin-4-yl-5-propyl-1,3,4-thiadiazole
CID 167745080
4-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)isoquinoline
CID 104504513
5-isoquinolin-4-yl-2,3-dimethylimidazol-4-amine
CID 104504804
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
5-isoquinolin-4-yl-3-propan-2-ylimidazol-4-amine
CID 104504799

Frequently Asked Questions

What is the IUPAC name of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine (CID 104504761) is 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine is CC(N)c1csc(-c2cncc3ccccc23)n1.
What is the InChIKey of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is LMURGUBDZOIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9(15)13-8-18-14(17-13)12-7-16-6-10-4-2-3-5-11(10)12/h2-9H,15H2,1H3.
What are the key properties of 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine?
1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 255.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-isoquinolin-4-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104504761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).