5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine

C14H13ClN2O2S2 — CID 167506320

IUPAC5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc2c(nc1-c1ccccc1Cl)N(S(C)(=O)=O)CS2
InChIInChI=1S/C14H13ClN2O2S2/c1-9-7-12-14(17(8-20-12)21(2,18)19)16-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3
InChIKeyISNYAZLXSRQTTR-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.54
Rot. Bonds2

About 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine

5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 167506320) has the molecular formula C14H13ClN2O2S2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine
PubChem CID167506320
Molecular FormulaC14H13ClN2O2S2
Molecular Weight340.86 g/mol
Exact Mass340.01
IUPAC Name5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine
SMILESCc1cc2c(nc1-c1ccccc1Cl)N(S(C)(=O)=O)CS2
InChIInChI=1S/C14H13ClN2O2S2/c1-9-7-12-14(17(8-20-12)21(2,18)19)16-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3
InChIKeyISNYAZLXSRQTTR-UHFFFAOYSA-N
XLogP3.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine (CID 167506320) is 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine is Cc1cc2c(nc1-c1ccccc1Cl)N(S(C)(=O)=O)CS2.
What is the InChIKey of 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is ISNYAZLXSRQTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S2/c1-9-7-12-14(17(8-20-12)21(2,18)19)16-13(9)10-5-3-4-6-11(10)15/h3-7H,8H2,1-2H3.
What are the key properties of 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine?
5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 340.86 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-6-methyl-3-methylsulfonyl-2H-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 167506320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).