N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide

C22H17N3OS — CID 3441646

IUPACN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C22H17N3OS/c1-25(2)15-11-9-14(10-12-15)21(26)24-22-23-19-16-7-3-5-13-6-4-8-17(18(13)16)20(19)27-22/h3-12H,1-2H3,(H,23,24,26)
InChIKeyWDDJXXBDOODYLR-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.26
Rot. Bonds3

About N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide (PubChem CID 3441646) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide
PubChem CID3441646
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C22H17N3OS/c1-25(2)15-11-9-14(10-12-15)21(26)24-22-23-19-16-7-3-5-13-6-4-8-17(18(13)16)20(19)27-22/h3-12H,1-2H3,(H,23,24,26)
InChIKeyWDDJXXBDOODYLR-UHFFFAOYSA-N
XLogP5.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide
CID 4105342
ethyl 4-[4-(acenaphthyleno[1,2-d][1,3]thiazol-8-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 5046750
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide
CID 3600880
4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7152616
4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31155104
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2-thiophen-2-ylacetamide
CID 44919364
N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 24648633
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
propan-2-yl 2-[[4-(dimethylamino)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 110444428
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 39024026
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886

Frequently Asked Questions

What is the IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide?
The IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide (CID 3441646) is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide.
What is the SMILES notation for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide?
The canonical SMILES for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide?
The InChIKey is WDDJXXBDOODYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c1-25(2)15-11-9-14(10-12-15)21(26)24-22-23-19-16-7-3-5-13-6-4-8-17(18(13)16)20(19)27-22/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide?
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide has a molecular weight of 371.47 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide is sourced from PubChem (CID 3441646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).