N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide

C19H15N3OS — CID 43064333

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H15N3OS/c23-18(21-19-20-16-5-1-2-6-17(16)24-19)13-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-12H,13H2,(H,20,21,23)
InChIKeyWYYHABNDZGEJAI-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.27
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 43064333) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID43064333
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C19H15N3OS/c23-18(21-19-20-16-5-1-2-6-17(16)24-19)13-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-12H,13H2,(H,20,21,23)
InChIKeyWYYHABNDZGEJAI-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614963
3-(4-aminophenyl)-N-(1,3-benzothiazol-2-yl)propanamide
CID 61037275
N-(1,3-benzothiazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18134779
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 86304256
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2097657
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide (CID 43064333) is N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccc2)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is WYYHABNDZGEJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-18(21-19-20-16-5-1-2-6-17(16)24-19)13-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-12H,13H2,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 333.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 43064333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).