N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide

C27H18N2OS — CID 4105342

IUPACN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide
SMILESO=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C27H18N2OS/c30-26(20-14-12-18(13-15-20)16-17-6-2-1-3-7-17)29-27-28-24-21-10-4-8-19-9-5-11-22(23(19)21)25(24)31-27/h1-15H,16H2,(H,28,29,30)
InChIKeyOGKMSKPLATYHOD-UHFFFAOYSA-N
MW418.52 g/mol
LogP6.79
Rot. Bonds4

About N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide (PubChem CID 4105342) has the molecular formula C27H18N2OS and a molecular weight of 418.52 g/mol. Its IUPAC name is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide.

Molecular Properties

Compound NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide
PubChem CID4105342
Molecular FormulaC27H18N2OS
Molecular Weight418.52 g/mol
Exact Mass418.11
IUPAC NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide
SMILESO=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C27H18N2OS/c30-26(20-14-12-18(13-15-20)16-17-6-2-1-3-7-17)29-27-28-24-21-10-4-8-19-9-5-11-22(23(19)21)25(24)31-27/h1-15H,16H2,(H,28,29,30)
InChIKeyOGKMSKPLATYHOD-UHFFFAOYSA-N
XLogP6.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide
CID 3441646
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-thiophen-2-ylacetamide
CID 44919364
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
4-benzyl-N-[4-(methylaminomethyl)-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]benzamide
CID 160801967
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 16828983
4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357

Frequently Asked Questions

What is the IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide?
The IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide (CID 4105342) is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide.
What is the SMILES notation for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide?
The canonical SMILES for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide is O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide?
The InChIKey is OGKMSKPLATYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2OS/c30-26(20-14-12-18(13-15-20)16-17-6-2-1-3-7-17)29-27-28-24-21-10-4-8-19-9-5-11-22(23(19)21)25(24)31-27/h1-15H,16H2,(H,28,29,30).
What are the key properties of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide?
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-benzylbenzamide is sourced from PubChem (CID 4105342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).