N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide

C24H16ClN3OS2 — CID 16563446

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C24H16ClN3OS2/c25-16-7-5-6-15(12-16)23-26-17(14-30-23)13-22(29)27-19-9-2-1-8-18(19)24-28-20-10-3-4-11-21(20)31-24/h1-12,14H,13H2,(H,27,29)
InChIKeyLXQCVSQQALCFJA-UHFFFAOYSA-N
MW462.00 g/mol
LogP6.92
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 16563446) has the molecular formula C24H16ClN3OS2 and a molecular weight of 462.00 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID16563446
Molecular FormulaC24H16ClN3OS2
Molecular Weight462.00 g/mol
Exact Mass461.04
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C24H16ClN3OS2/c25-16-7-5-6-15(12-16)23-26-17(14-30-23)13-22(29)27-19-9-2-1-8-18(19)24-28-20-10-3-4-11-21(20)31-24/h1-12,14H,13H2,(H,27,29)
InChIKeyLXQCVSQQALCFJA-UHFFFAOYSA-N
XLogP6.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.00
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 42999622
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 9117027
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide
CID 24568091
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]butanamide
CID 918649

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide (CID 16563446) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is LXQCVSQQALCFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3OS2/c25-16-7-5-6-15(12-16)23-26-17(14-30-23)13-22(29)27-19-9-2-1-8-18(19)24-28-20-10-3-4-11-21(20)31-24/h1-12,14H,13H2,(H,27,29).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 462.00 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16563446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).