3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline

C10H8Cl2N2OS — CID 112640173

IUPAC3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
SMILESNc1cc(Cl)c(OCc2cncs2)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-8-1-6(13)2-9(12)10(8)15-4-7-3-14-5-16-7/h1-3,5H,4,13H2
InChIKeyTVXJNQBZPHEUFQ-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.61
Rot. Bonds3

About 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline

3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline (PubChem CID 112640173) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
PubChem CID112640173
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
SMILESNc1cc(Cl)c(OCc2cncs2)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2OS/c11-8-1-6(13)2-9(12)10(8)15-4-7-3-14-5-16-7/h1-3,5H,4,13H2
InChIKeyTVXJNQBZPHEUFQ-UHFFFAOYSA-N
XLogP3.61
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline 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

5-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]-1,3-thiazole
CID 112641139
2-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 107739564
N-[[3,5-dichloro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115978897
5-[(2-chlorophenoxy)methyl]-1,3-thiazole
CID 112644769
3-bromo-2-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640206
1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 107739833
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 104666966
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
4-(1,3-thiazol-5-ylmethoxymethyl)aniline
CID 112640171

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline?
The IUPAC name of 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline (CID 112640173) is 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline.
What is the SMILES notation for 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline?
The canonical SMILES for 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline is Nc1cc(Cl)c(OCc2cncs2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline?
The InChIKey is TVXJNQBZPHEUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-8-1-6(13)2-9(12)10(8)15-4-7-3-14-5-16-7/h1-3,5H,4,13H2.
What are the key properties of 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline?
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline has a molecular weight of 275.16 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline is sourced from PubChem (CID 112640173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).