[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine

C14H17ClN2O2S — CID 104664167

IUPAC[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCCc1scnc1C
InChIInChI=1S/C14H17ClN2O2S/c1-9-13(20-8-17-9)3-4-19-14-10(7-16)5-11(15)6-12(14)18-2/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyVBEBCPBOEAPBGO-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.19
Rot. Bonds6

About [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine

[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine (PubChem CID 104664167) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine
PubChem CID104664167
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine
SMILESCOc1cc(Cl)cc(CN)c1OCCc1scnc1C
InChIInChI=1S/C14H17ClN2O2S/c1-9-13(20-8-17-9)3-4-19-14-10(7-16)5-11(15)6-12(14)18-2/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyVBEBCPBOEAPBGO-UHFFFAOYSA-N
XLogP3.19
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine 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

2-[3-chloro-5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62071864
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
[5-chloro-3-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615218
[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]methanamine
CID 104664127
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
4-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 104664012
[5-chloro-2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-3-methoxyphenyl]methanamine
CID 104664220
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
N-[[5-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62070964
2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine
CID 104666878

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine?
The IUPAC name of [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine (CID 104664167) is [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine.
What is the SMILES notation for [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine?
The canonical SMILES for [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine is COc1cc(Cl)cc(CN)c1OCCc1scnc1C.
What is the InChIKey of [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine?
The InChIKey is VBEBCPBOEAPBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-9-13(20-8-17-9)3-4-19-14-10(7-16)5-11(15)6-12(14)18-2/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine?
[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine has a molecular weight of 312.82 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine is sourced from PubChem (CID 104664167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).