2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

C16H13N3O2S2 — CID 136755963

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2s1)N/N=C\c1ccccc1O
InChIInChI=1S/C16H13N3O2S2/c20-13-7-3-1-5-11(13)9-17-19-15(21)10-22-16-18-12-6-2-4-8-14(12)23-16/h1-9,20H,10H2,(H,19,21)/b17-9-
InChIKeyXMEPGYPYPHNFLJ-MFOYZWKCSA-N
MW343.43 g/mol
LogP3.24
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 136755963) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID136755963
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2s1)N/N=C\c1ccccc1O
InChIInChI=1S/C16H13N3O2S2/c20-13-7-3-1-5-11(13)9-17-19-15(21)10-22-16-18-12-6-2-4-8-14(12)23-16/h1-9,20H,10H2,(H,19,21)/b17-9-
InChIKeyXMEPGYPYPHNFLJ-MFOYZWKCSA-N
XLogP3.24
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide 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 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 136755963) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CSc1nc2ccccc2s1)N/N=C\c1ccccc1O.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is XMEPGYPYPHNFLJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c20-13-7-3-1-5-11(13)9-17-19-15(21)10-22-16-18-12-6-2-4-8-14(12)23-16/h1-9,20H,10H2,(H,19,21)/b17-9-.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136755963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).