N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide

C23H17N3OS — CID 155810197

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H17N3OS/c27-22(15-26-14-13-16-5-1-3-7-20(16)26)24-18-11-9-17(10-12-18)23-25-19-6-2-4-8-21(19)28-23/h1-14H,15H2,(H,24,27)
InChIKeyPZXQHVUERBRWDB-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.56
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide (PubChem CID 155810197) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide
PubChem CID155810197
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H17N3OS/c27-22(15-26-14-13-16-5-1-3-7-20(16)26)24-18-11-9-17(10-12-18)23-25-19-6-2-4-8-21(19)28-23/h1-14H,15H2,(H,24,27)
InChIKeyPZXQHVUERBRWDB-UHFFFAOYSA-N
XLogP5.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9819307
2-{3-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9819308
2-{5-phenyl-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 9846667
N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360
2-{3-[(4-fluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 11279241
2-{3-[(4,6-difluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 11291292
2-{3-[(5,6-difluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid
CID 11739835
N-(5-Cyclobutyl-thiazol-2-yl)-2-indol-1-yl-acetamide
CID 9901306
2-(1H-indol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095485
6-Fluoro-2-(1-methylindol-5-yl)-1,3-benzothiazole
CID 92131165
5-methyl-N-[3-[methyl-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-thiazole-2-carboxamide
CID 22980673
Indol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 71710888

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide (CID 155810197) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide?
The InChIKey is PZXQHVUERBRWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c27-22(15-26-14-13-16-5-1-3-7-20(16)26)24-18-11-9-17(10-12-18)23-25-19-6-2-4-8-21(19)28-23/h1-14H,15H2,(H,24,27).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide has a molecular weight of 383.48 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 155810197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).