[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

C13H15ClN2OS — CID 114318303

IUPAC[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCc1nc(COc2cccc(Cl)c2CN)cs1
InChIInChI=1S/C13H15ClN2OS/c1-2-13-16-9(8-18-13)7-17-12-5-3-4-11(14)10(12)6-15/h3-5,8H,2,6-7,15H2,1H3
InChIKeyJWVSFBRARQSAOW-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.40
Rot. Bonds5

About [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine

[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 114318303) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID114318303
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCCc1nc(COc2cccc(Cl)c2CN)cs1
InChIInChI=1S/C13H15ClN2OS/c1-2-13-16-9(8-18-13)7-17-12-5-3-4-11(14)10(12)6-15/h3-5,8H,2,6-7,15H2,1H3
InChIKeyJWVSFBRARQSAOW-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

[3-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112607859
[2-chloro-6-[(4-ethyl-1,3-thiazol-2-yl)oxy]phenyl]methanamine
CID 114323843
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-6-fluorobenzoic acid
CID 104651306
N-[[2-chloro-6-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 114319395
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379
[2-chloro-6-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866452
[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-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 114321984
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 114318303) is [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is CCc1nc(COc2cccc(Cl)c2CN)cs1.
What is the InChIKey of [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is JWVSFBRARQSAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-2-13-16-9(8-18-13)7-17-12-5-3-4-11(14)10(12)6-15/h3-5,8H,2,6-7,15H2,1H3.
What are the key properties of [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[2-chloro-6-[(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 [2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 114318303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).