3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline

C10H8Cl2N2S2 — CID 79763873

IUPAC3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline
SMILESNc1cccc(Cl)c1SCc1cnc(Cl)s1
InChIInChI=1S/C10H8Cl2N2S2/c11-7-2-1-3-8(13)9(7)15-5-6-4-14-10(12)16-6/h1-4H,5,13H2
InChIKeyQOELGJCFHQXBAY-UHFFFAOYSA-N
MW291.23 g/mol
LogP4.32
Rot. Bonds3

About 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline

3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline (PubChem CID 79763873) has the molecular formula C10H8Cl2N2S2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline
PubChem CID79763873
Molecular FormulaC10H8Cl2N2S2
Molecular Weight291.23 g/mol
Exact Mass289.95
IUPAC Name3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline
SMILESNc1cccc(Cl)c1SCc1cnc(Cl)s1
InChIInChI=1S/C10H8Cl2N2S2/c11-7-2-1-3-8(13)9(7)15-5-6-4-14-10(12)16-6/h1-4H,5,13H2
InChIKeyQOELGJCFHQXBAY-UHFFFAOYSA-N
XLogP4.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline 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 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline?
The IUPAC name of 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline (CID 79763873) is 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline.
What is the SMILES notation for 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline?
The canonical SMILES for 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline is Nc1cccc(Cl)c1SCc1cnc(Cl)s1.
What is the InChIKey of 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline?
The InChIKey is QOELGJCFHQXBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S2/c11-7-2-1-3-8(13)9(7)15-5-6-4-14-10(12)16-6/h1-4H,5,13H2.
What are the key properties of 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline?
3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline has a molecular weight of 291.23 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79763873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).