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

C13H15ClN2OS — CID 54931526

IUPAC2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCc1nc(COc2ccc(Cl)cc2CCN)cs1
InChIInChI=1S/C13H15ClN2OS/c1-9-16-12(8-18-9)7-17-13-3-2-11(14)6-10(13)4-5-15/h2-3,6,8H,4-5,7,15H2,1H3
InChIKeyHPQRCOQCSXKGLG-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.19
Rot. Bonds5

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

2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 54931526) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID54931526
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
SMILESCc1nc(COc2ccc(Cl)cc2CCN)cs1
InChIInChI=1S/C13H15ClN2OS/c1-9-16-12(8-18-9)7-17-13-3-2-11(14)6-10(13)4-5-15/h2-3,6,8H,4-5,7,15H2,1H3
InChIKeyHPQRCOQCSXKGLG-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
2-[3-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 112615108
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzonitrile
CID 80707777
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 114323384
[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-nitrophenyl]methanamine
CID 60888826
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
[5-chloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487303
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
4-bromo-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]aniline
CID 103009149
2-methyl-N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63327109

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine (CID 54931526) is 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is Cc1nc(COc2ccc(Cl)cc2CCN)cs1.
What is the InChIKey of 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is HPQRCOQCSXKGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-9-16-12(8-18-9)7-17-13-3-2-11(14)6-10(13)4-5-15/h2-3,6,8H,4-5,7,15H2,1H3.
What are the key properties of 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine?
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 282.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 54931526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).