5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole

C10H6Cl3NO2S2 — CID 86214980

IUPAC5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1ncc(Cl)s1
InChIInChI=1S/C10H6Cl3NO2S2/c11-7-2-1-3-8(12)6(7)5-18(15,16)10-14-4-9(13)17-10/h1-4H,5H2
InChIKeyDHBBIGSKXOHSIA-UHFFFAOYSA-N
MW342.66 g/mol
LogP4.08
Rot. Bonds3

About 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole

5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole (PubChem CID 86214980) has the molecular formula C10H6Cl3NO2S2 and a molecular weight of 342.66 g/mol. Its IUPAC name is 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole
PubChem CID86214980
Molecular FormulaC10H6Cl3NO2S2
Molecular Weight342.66 g/mol
Exact Mass340.89
IUPAC Name5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)c1ncc(Cl)s1
InChIInChI=1S/C10H6Cl3NO2S2/c11-7-2-1-3-8(12)6(7)5-18(15,16)10-14-4-9(13)17-10/h1-4H,5H2
InChIKeyDHBBIGSKXOHSIA-UHFFFAOYSA-N
XLogP4.08
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole 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-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole (CID 86214980) is 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole is O=S(=O)(Cc1c(Cl)cccc1Cl)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole?
The InChIKey is DHBBIGSKXOHSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3NO2S2/c11-7-2-1-3-8(12)6(7)5-18(15,16)10-14-4-9(13)17-10/h1-4H,5H2.
What are the key properties of 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole?
5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole has a molecular weight of 342.66 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,6-dichlorophenyl)methylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 86214980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).