N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide

C27H19N3OS — CID 155805997

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide
SMILESO=C(Cn1c2ccccc2c2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C27H19N3OS/c31-26(17-30-23-10-4-1-7-20(23)21-8-2-5-11-24(21)30)28-19-15-13-18(14-16-19)27-29-22-9-3-6-12-25(22)32-27/h1-16H,17H2,(H,28,31)
InChIKeySSVGKJMXIUFZLX-UHFFFAOYSA-N
MW433.54 g/mol
LogP6.71
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide (PubChem CID 155805997) has the molecular formula C27H19N3OS and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide
PubChem CID155805997
Molecular FormulaC27H19N3OS
Molecular Weight433.54 g/mol
Exact Mass433.12
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide
SMILESO=C(Cn1c2ccccc2c2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C27H19N3OS/c31-26(17-30-23-10-4-1-7-20(23)21-8-2-5-11-24(21)30)28-19-15-13-18(14-16-19)27-29-22-9-3-6-12-25(22)32-27/h1-16H,17H2,(H,28,31)
InChIKeySSVGKJMXIUFZLX-UHFFFAOYSA-N
XLogP6.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.54
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide (CID 155805997) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide is O=C(Cn1c2ccccc2c2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide?
The InChIKey is SSVGKJMXIUFZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3OS/c31-26(17-30-23-10-4-1-7-20(23)21-8-2-5-11-24(21)30)28-19-15-13-18(14-16-19)27-29-22-9-3-6-12-25(22)32-27/h1-16H,17H2,(H,28,31).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-carbazol-9-ylacetamide has a molecular weight of 433.54 g/mol, XLogP of 6.71, 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-carbazol-9-ylacetamide is sourced from PubChem (CID 155805997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).