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

C22H19N3OS — CID 23996486

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C22H19N3OS/c1-25(2)18-13-9-15(10-14-18)21(26)23-17-11-7-16(8-12-17)22-24-19-5-3-4-6-20(19)27-22/h3-14H,1-2H3,(H,23,26)
InChIKeyDFESBWCVOQPFNC-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.28
Rot. Bonds4

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

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide (PubChem CID 23996486) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
PubChem CID23996486
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C22H19N3OS/c1-25(2)18-13-9-15(10-14-18)21(26)23-17-11-7-16(8-12-17)22-24-19-5-3-4-6-20(19)27-22/h3-14H,1-2H3,(H,23,26)
InChIKeyDFESBWCVOQPFNC-UHFFFAOYSA-N
XLogP5.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886
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]-3-methylbenzamide
CID 780722
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-iodobenzamide
CID 2266955
N-[4-(1,3-benzothiazol-2-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33171274
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 25284529
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-tert-butylbenzamide
CID 2303166
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylprop-2-enamide
CID 9349652
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide (CID 23996486) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide?
The InChIKey is DFESBWCVOQPFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-25(2)18-13-9-15(10-14-18)21(26)23-17-11-7-16(8-12-17)22-24-19-5-3-4-6-20(19)27-22/h3-14H,1-2H3,(H,23,26).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide has a molecular weight of 373.48 g/mol, XLogP of 5.28, 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]-4-(dimethylamino)benzamide is sourced from PubChem (CID 23996486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).