5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine

C11H10Cl2N2OS2 — CID 43250190

IUPAC5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCCOc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H10Cl2N2OS2/c12-7-1-2-9(8(13)5-7)16-3-4-17-10-6-15-11(14)18-10/h1-2,5-6H,3-4H2,(H2,14,15)
InChIKeyAVSNAODPHKQBCJ-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.20
Rot. Bonds5

About 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine

5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43250190) has the molecular formula C11H10Cl2N2OS2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43250190
Molecular FormulaC11H10Cl2N2OS2
Molecular Weight321.25 g/mol
Exact Mass319.96
IUPAC Name5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCCOc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H10Cl2N2OS2/c12-7-1-2-9(8(13)5-7)16-3-4-17-10-6-15-11(14)18-10/h1-2,5-6H,3-4H2,(H2,14,15)
InChIKeyAVSNAODPHKQBCJ-UHFFFAOYSA-N
XLogP4.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-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

Related Compounds

2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
CID 43300675
4-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-2-fluoroaniline
CID 79141281
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole
CID 7784934
5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine
CID 43250120
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
2-[3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294256
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 7273058
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
4-chloro-2-[2-(2-chlorophenoxy)ethylsulfanyl]aniline
CID 79527874
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine
CID 7225358
3-[2-(2,4-dichlorophenoxy)ethylsulfanylmethyl]azetidine
CID 66289058

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine (CID 43250190) is 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCCOc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is AVSNAODPHKQBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS2/c12-7-1-2-9(8(13)5-7)16-3-4-17-10-6-15-11(14)18-10/h1-2,5-6H,3-4H2,(H2,14,15).
What are the key properties of 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 321.25 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43250190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).