2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole

C11H7ClN2O2S3 — CID 1484630

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole
SMILESO=S(=O)(Cc1cnc(Cl)s1)c1nc2ccccc2s1
InChIInChI=1S/C11H7ClN2O2S3/c12-10-13-5-7(17-10)6-19(15,16)11-14-8-3-1-2-4-9(8)18-11/h1-5H,6H2
InChIKeyBKZZGBSXKBZSBQ-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.38
Rot. Bonds3

About 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole

2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole (PubChem CID 1484630) has the molecular formula C11H7ClN2O2S3 and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole
PubChem CID1484630
Molecular FormulaC11H7ClN2O2S3
Molecular Weight330.84 g/mol
Exact Mass329.94
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole
SMILESO=S(=O)(Cc1cnc(Cl)s1)c1nc2ccccc2s1
InChIInChI=1S/C11H7ClN2O2S3/c12-10-13-5-7(17-10)6-19(15,16)11-14-8-3-1-2-4-9(8)18-11/h1-5H,6H2
InChIKeyBKZZGBSXKBZSBQ-UHFFFAOYSA-N
XLogP3.38
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole (CID 1484630) is 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole is O=S(=O)(Cc1cnc(Cl)s1)c1nc2ccccc2s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole?
The InChIKey is BKZZGBSXKBZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S3/c12-10-13-5-7(17-10)6-19(15,16)11-14-8-3-1-2-4-9(8)18-11/h1-5H,6H2.
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole?
2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole has a molecular weight of 330.84 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)methylsulfonyl]-1,3-benzothiazole is sourced from PubChem (CID 1484630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).