1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide

C11H9N3O3S2 — CID 72719852

IUPAC1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1nccs1
InChIInChI=1S/C11H9N3O3S2/c15-19(16,14-11-12-5-6-18-11)7-9-8-3-1-2-4-10(8)17-13-9/h1-6H,7H2,(H,12,14)
InChIKeyCIGHKYHMOWQZQT-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.23
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide (PubChem CID 72719852) has the molecular formula C11H9N3O3S2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide
PubChem CID72719852
Molecular FormulaC11H9N3O3S2
Molecular Weight295.35 g/mol
Exact Mass295.01
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1nccs1
InChIInChI=1S/C11H9N3O3S2/c15-19(16,14-11-12-5-6-18-11)7-9-8-3-1-2-4-10(8)17-13-9/h1-6H,7H2,(H,12,14)
InChIKeyCIGHKYHMOWQZQT-UHFFFAOYSA-N
XLogP2.23
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide (CID 72719852) is 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1nccs1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide?
The InChIKey is CIGHKYHMOWQZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S2/c15-19(16,14-11-12-5-6-18-11)7-9-8-3-1-2-4-10(8)17-13-9/h1-6H,7H2,(H,12,14).
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide has a molecular weight of 295.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 72719852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).