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

C13H15ClN2OS — CID 112607859

IUPAC[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCc1nc(COc2c(Cl)cccc2CN)cs1
InChIInChI=1S/C13H15ClN2OS/c1-2-12-16-10(8-18-12)7-17-13-9(6-15)4-3-5-11(13)14/h3-5,8H,2,6-7,15H2,1H3
InChIKeyXXYXVLHFTTYMFE-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.40
Rot. Bonds5

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

[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 112607859) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID112607859
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCc1nc(COc2c(Cl)cccc2CN)cs1
InChIInChI=1S/C13H15ClN2OS/c1-2-12-16-10(8-18-12)7-17-13-9(6-15)4-3-5-11(13)14/h3-5,8H,2,6-7,15H2,1H3
InChIKeyXXYXVLHFTTYMFE-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
2-[3-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 112615108
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378
2-[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104666894
[3-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanamine
CID 112607840
2-[3-bromo-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487551
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
[2-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-chlorophenyl]methanamine
CID 115951901
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 112607859) is [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is CCc1nc(COc2c(Cl)cccc2CN)cs1.
What is the InChIKey of [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is XXYXVLHFTTYMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-2-12-16-10(8-18-12)7-17-13-9(6-15)4-3-5-11(13)14/h3-5,8H,2,6-7,15H2,1H3.
What are the key properties of [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 282.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).