5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine

C13H15ClN2OS — CID 79774791

IUPAC5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCc2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2OS/c1-2-15-13-16-7-12(18-13)9-17-8-10-4-3-5-11(14)6-10/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyWFFOKGLFQXQJGX-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.95
Rot. Bonds6

About 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine

5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79774791) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79774791
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COCc2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN2OS/c1-2-15-13-16-7-12(18-13)9-17-8-10-4-3-5-11(14)6-10/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyWFFOKGLFQXQJGX-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030
5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
[4-[(3-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438691
2-chloro-5-[(3-chlorophenyl)methoxymethyl]-1,3,4-thiadiazole
CID 80607272
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
N-ethyl-5-(3-methoxypropoxymethyl)-1,3-thiazol-2-amine
CID 79774095
N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 107660672
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 23855488
5-[(3-chlorophenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79775087
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine (CID 79774791) is 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(COCc2cccc(Cl)c2)s1.
What is the InChIKey of 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is WFFOKGLFQXQJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-2-15-13-16-7-12(18-13)9-17-8-10-4-3-5-11(14)6-10/h3-7H,2,8-9H2,1H3,(H,15,16).
What are the key properties of 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine?
5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 282.80 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).