(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide

C11H10N2O2S2 — CID 15005948

IUPAC(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide
SMILESCN(O)C(=O)/C=C/Sc1nc2ccccc2s1
InChIInChI=1S/C11H10N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-7,15H,1H3/b7-6+
InChIKeyIPLAZCSDKDHBTJ-VOTSOKGWSA-N
MW266.35 g/mol
LogP2.75
Rot. Bonds3

About (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide

(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide (PubChem CID 15005948) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide
PubChem CID15005948
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide
SMILESCN(O)C(=O)/C=C/Sc1nc2ccccc2s1
InChIInChI=1S/C11H10N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-7,15H,1H3/b7-6+
InChIKeyIPLAZCSDKDHBTJ-VOTSOKGWSA-N
XLogP2.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide (CID 15005948) is (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide is CN(O)C(=O)/C=C/Sc1nc2ccccc2s1.
What is the InChIKey of (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide?
The InChIKey is IPLAZCSDKDHBTJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-13(15)10(14)6-7-16-11-12-8-4-2-3-5-9(8)17-11/h2-7,15H,1H3/b7-6+.
What are the key properties of (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide?
(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide has a molecular weight of 266.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylprop-2-enamide is sourced from PubChem (CID 15005948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).