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

C22H18N2O2S — CID 1050063

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-2-26-18-13-9-15(10-14-18)21(25)23-17-11-7-16(8-12-17)22-24-19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3,(H,23,25)
InChIKeyZXQWVIJXUPKFNW-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.61
Rot. Bonds5

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

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide (PubChem CID 1050063) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
PubChem CID1050063
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-2-26-18-13-9-15(10-14-18)21(25)23-17-11-7-16(8-12-17)22-24-19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3,(H,23,25)
InChIKeyZXQWVIJXUPKFNW-UHFFFAOYSA-N
XLogP5.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 55530367
N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171274
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-ethoxybenzamide
CID 3575425
1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyphenyl)urea
CID 86844358
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1224431
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 67311851
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 1104009

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide (CID 1050063) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide?
The InChIKey is ZXQWVIJXUPKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-2-26-18-13-9-15(10-14-18)21(25)23-17-11-7-16(8-12-17)22-24-19-5-3-4-6-20(19)27-22/h3-14H,2H2,1H3,(H,23,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide has a molecular weight of 374.47 g/mol, XLogP of 5.61, 5 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]-4-ethoxybenzamide is sourced from PubChem (CID 1050063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).