5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole

C15H9ClN2OS2 — CID 66233884

IUPAC5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3ccc(Cl)cn3)c3ccsc32)s1
InChIInChI=1S/C15H9ClN2OS2/c1-8-18-14-12(21-8)6-11(10-4-5-20-15(10)14)19-13-3-2-9(16)7-17-13/h2-7H,1H3
InChIKeyITPYKTXBFCXEBJ-UHFFFAOYSA-N
MW332.84 g/mol
LogP5.66
Rot. Bonds2

About 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole

5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole (PubChem CID 66233884) has the molecular formula C15H9ClN2OS2 and a molecular weight of 332.84 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
PubChem CID66233884
Molecular FormulaC15H9ClN2OS2
Molecular Weight332.84 g/mol
Exact Mass331.98
IUPAC Name5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole
SMILESCc1nc2c(cc(Oc3ccc(Cl)cn3)c3ccsc32)s1
InChIInChI=1S/C15H9ClN2OS2/c1-8-18-14-12(21-8)6-11(10-4-5-20-15(10)14)19-13-3-2-9(16)7-17-13/h2-7H,1H3
InChIKeyITPYKTXBFCXEBJ-UHFFFAOYSA-N
XLogP5.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.84
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole (CID 66233884) is 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole is Cc1nc2c(cc(Oc3ccc(Cl)cn3)c3ccsc32)s1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
The InChIKey is ITPYKTXBFCXEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2OS2/c1-8-18-14-12(21-8)6-11(10-4-5-20-15(10)14)19-13-3-2-9(16)7-17-13/h2-7H,1H3.
What are the key properties of 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole?
5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole has a molecular weight of 332.84 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)oxy]-2-methylthieno[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 66233884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).