5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine

C12H12Cl2N2OS — CID 79774030

IUPAC5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H12Cl2N2OS/c1-2-15-12-16-6-9(18-12)7-17-8-3-4-10(13)11(14)5-8/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyYHVJEDYAWDBXQX-UHFFFAOYSA-N
MW303.21 g/mol
LogP4.46
Rot. Bonds5

About 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine

5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79774030) has the molecular formula C12H12Cl2N2OS and a molecular weight of 303.21 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79774030
Molecular FormulaC12H12Cl2N2OS
Molecular Weight303.21 g/mol
Exact Mass302.00
IUPAC Name5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C12H12Cl2N2OS/c1-2-15-12-16-6-9(18-12)7-17-8-3-4-10(13)11(14)5-8/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyYHVJEDYAWDBXQX-UHFFFAOYSA-N
XLogP4.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chloro-4-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79775260
5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79775055
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
[5-[(4-chloro-3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765304
5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-[(3-chlorophenyl)methoxymethyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774791
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine (CID 79774030) is 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(COc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is YHVJEDYAWDBXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS/c1-2-15-12-16-6-9(18-12)7-17-8-3-4-10(13)11(14)5-8/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine?
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 303.21 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).