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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).