3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide

C11H12N2O2S2 — CID 15005943

IUPAC3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCSc1nc2ccccc2s1
InChIInChI=1S/C11H12N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-5,15H,6-7H2,1H3
InChIKeyVZAYNOIQYHZLTF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.63
Rot. Bonds4

About 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide

3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide (PubChem CID 15005943) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide
PubChem CID15005943
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide
SMILESCN(O)C(=O)CCSc1nc2ccccc2s1
InChIInChI=1S/C11H12N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-5,15H,6-7H2,1H3
InChIKeyVZAYNOIQYHZLTF-UHFFFAOYSA-N
XLogP2.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide (CID 15005943) is 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide is CN(O)C(=O)CCSc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide?
The InChIKey is VZAYNOIQYHZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-5,15H,6-7H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide?
3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 15005943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).