N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine

C14H18ClN3OS — CID 62291236

IUPACN-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(OCCc2scnc2C)c(Cl)c1
InChIInChI=1S/C14H18ClN3OS/c1-3-16-7-11-6-12(15)14(17-8-11)19-5-4-13-10(2)18-9-20-13/h6,8-9,16H,3-5,7H2,1-2H3
InChIKeyRYRIPFGFGDXEIF-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.23
Rot. Bonds7

About N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine

N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 62291236) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID62291236
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(OCCc2scnc2C)c(Cl)c1
InChIInChI=1S/C14H18ClN3OS/c1-3-16-7-11-6-12(15)14(17-8-11)19-5-4-13-10(2)18-9-20-13/h6,8-9,16H,3-5,7H2,1-2H3
InChIKeyRYRIPFGFGDXEIF-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 62291414
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
N-[(5-chloro-6-pent-4-enoxy-3-pyridinyl)methyl]ethanamine
CID 79114404
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
N-[[4-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 62070630
N-[[5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 81342700
N-[[5-chloro-6-(2-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 55058407
N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635568
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62291596
N-[(5-chloro-6-cyclobutyloxy-3-pyridinyl)methyl]ethanamine
CID 62286994

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine (CID 62291236) is N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(OCCc2scnc2C)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is RYRIPFGFGDXEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-3-16-7-11-6-12(15)14(17-8-11)19-5-4-13-10(2)18-9-20-13/h6,8-9,16H,3-5,7H2,1-2H3.
What are the key properties of N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 311.84 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62291236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).