5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole

C15H12N2O3S3 — CID 39730338

IUPAC5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCSc2ccccc21
InChIInChI=1S/C15H12N2O3S3/c18-23(19,15-6-5-14(22-15)12-7-8-16-20-12)17-9-10-21-13-4-2-1-3-11(13)17/h1-8H,9-10H2
InChIKeyRLQAIQNQXCFAML-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.70
Rot. Bonds3

About 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole

5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole (PubChem CID 39730338) has the molecular formula C15H12N2O3S3 and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
PubChem CID39730338
Molecular FormulaC15H12N2O3S3
Molecular Weight364.47 g/mol
Exact Mass364.00
IUPAC Name5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCSc2ccccc21
InChIInChI=1S/C15H12N2O3S3/c18-23(19,15-6-5-14(22-15)12-7-8-16-20-12)17-9-10-21-13-4-2-1-3-11(13)17/h1-8H,9-10H2
InChIKeyRLQAIQNQXCFAML-UHFFFAOYSA-N
XLogP3.70
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole?
The IUPAC name of 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole (CID 39730338) is 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole is O=S(=O)(c1ccc(-c2ccno2)s1)N1CCSc2ccccc21.
What is the InChIKey of 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole?
The InChIKey is RLQAIQNQXCFAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S3/c18-23(19,15-6-5-14(22-15)12-7-8-16-20-12)17-9-10-21-13-4-2-1-3-11(13)17/h1-8H,9-10H2.
What are the key properties of 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole?
5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole has a molecular weight of 364.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)thiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 39730338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).