N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine

C14H17ClN2O2S — CID 104664687

IUPACN-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(OC)c1OCc1nccs1
InChIInChI=1S/C14H17ClN2O2S/c1-3-16-8-10-6-11(15)7-12(18-2)14(10)19-9-13-17-4-5-20-13/h4-7,16H,3,8-9H2,1-2H3
InChIKeyYSPFMMBKZWOYTC-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.49
Rot. Bonds7

About N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine

N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 104664687) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID104664687
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC NameN-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)cc(OC)c1OCc1nccs1
InChIInChI=1S/C14H17ClN2O2S/c1-3-16-8-10-6-11(15)7-12(18-2)14(10)19-9-13-17-4-5-20-13/h4-7,16H,3,8-9H2,1-2H3
InChIKeyYSPFMMBKZWOYTC-UHFFFAOYSA-N
XLogP3.49
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine 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

1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 113438752
N-[[5-chloro-3-methoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664670
N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664701
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 112609256
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 104664704
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 104664579
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471773
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine (CID 104664687) is N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)cc(OC)c1OCc1nccs1.
What is the InChIKey of N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is YSPFMMBKZWOYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-3-16-8-10-6-11(15)7-12(18-2)14(10)19-9-13-17-4-5-20-13/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine?
N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 312.82 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 104664687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).