N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide

C19H16N4O2S — CID 135522902

IUPACN-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2c(O)[nH]c3ccc4ncsc4c23)cc1
InChIInChI=1S/C19H16N4O2S/c1-11(24)23(2)13-5-3-12(4-6-13)20-9-14-17-15(22-19(14)25)7-8-16-18(17)26-10-21-16/h3-10,22,25H,1-2H3/b20-9+
InChIKeyMBQLTOUZEQWEPF-AWQFTUOYSA-N
MW364.43 g/mol
LogP4.22
Rot. Bonds3

About N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide

N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide (PubChem CID 135522902) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide
PubChem CID135522902
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2c(O)[nH]c3ccc4ncsc4c23)cc1
InChIInChI=1S/C19H16N4O2S/c1-11(24)23(2)13-5-3-12(4-6-13)20-9-14-17-15(22-19(14)25)7-8-16-18(17)26-10-21-16/h3-10,22,25H,1-2H3/b20-9+
InChIKeyMBQLTOUZEQWEPF-AWQFTUOYSA-N
XLogP4.22
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide 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 N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide (CID 135522902) is N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(/N=C/c2c(O)[nH]c3ccc4ncsc4c23)cc1.
What is the InChIKey of N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide?
The InChIKey is MBQLTOUZEQWEPF-AWQFTUOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-11(24)23(2)13-5-3-12(4-6-13)20-9-14-17-15(22-19(14)25)7-8-16-18(17)26-10-21-16/h3-10,22,25H,1-2H3/b20-9+.
What are the key properties of N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide?
N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide has a molecular weight of 364.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-hydroxy-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 135522902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).