5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole

C11H10ClNO2S2 — CID 1480678

IUPAC5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1)Cc1cnc(Cl)s1
InChIInChI=1S/C11H10ClNO2S2/c12-11-13-6-10(16-11)8-17(14,15)7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyPPCDZIRJJBVTIF-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.91
Rot. Bonds4

About 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole

5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole (PubChem CID 1480678) has the molecular formula C11H10ClNO2S2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole
PubChem CID1480678
Molecular FormulaC11H10ClNO2S2
Molecular Weight287.79 g/mol
Exact Mass286.98
IUPAC Name5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1)Cc1cnc(Cl)s1
InChIInChI=1S/C11H10ClNO2S2/c12-11-13-6-10(16-11)8-17(14,15)7-9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyPPCDZIRJJBVTIF-UHFFFAOYSA-N
XLogP2.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole?
The IUPAC name of 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole (CID 1480678) is 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole is O=S(=O)(Cc1ccccc1)Cc1cnc(Cl)s1.
What is the InChIKey of 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole?
The InChIKey is PPCDZIRJJBVTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S2/c12-11-13-6-10(16-11)8-17(14,15)7-9-4-2-1-3-5-9/h1-6H,7-8H2.
What are the key properties of 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole?
5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole has a molecular weight of 287.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfonylmethyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 1480678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).