N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide

C19H15N3O2S — CID 24564408

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(-n4cccc4)cc3)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-24-15-8-9-16-17(12-15)25-19(20-16)21-18(23)13-4-6-14(7-5-13)22-10-2-3-11-22/h2-12H,1H3,(H,20,21,23)
InChIKeyQMIPLKBTPMZNEY-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.35
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 24564408) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
PubChem CID24564408
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc(-n4cccc4)cc3)sc2c1
InChIInChI=1S/C19H15N3O2S/c1-24-15-8-9-16-17(12-15)25-19(20-16)21-18(23)13-4-6-14(7-5-13)22-10-2-3-11-22/h2-12H,1H3,(H,20,21,23)
InChIKeyQMIPLKBTPMZNEY-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51052754
2-benzamido-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871469
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009
4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide (CID 24564408) is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide is COc1ccc2nc(NC(=O)c3ccc(-n4cccc4)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is QMIPLKBTPMZNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-24-15-8-9-16-17(12-15)25-19(20-16)21-18(23)13-4-6-14(7-5-13)22-10-2-3-11-22/h2-12H,1H3,(H,20,21,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 349.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24564408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).