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

C22H16N2O3S — CID 3600880

IUPACN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)c(OC)c1
InChIInChI=1S/C22H16N2O3S/c1-26-13-9-10-14(17(11-13)27-2)21(25)24-22-23-19-15-7-3-5-12-6-4-8-16(18(12)15)20(19)28-22/h3-11H,1-2H3,(H,23,24,25)
InChIKeyRVPJMURZOWDEJM-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.21
Rot. Bonds4

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

N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide (PubChem CID 3600880) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide
PubChem CID3600880
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC NameN-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)c(OC)c1
InChIInChI=1S/C22H16N2O3S/c1-26-13-9-10-14(17(11-13)27-2)21(25)24-22-23-19-15-7-3-5-12-6-4-8-16(18(12)15)20(19)28-22/h3-11H,1-2H3,(H,23,24,25)
InChIKeyRVPJMURZOWDEJM-UHFFFAOYSA-N
XLogP5.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-4-(dimethylamino)benzamide
CID 3441646
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 43140311
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 55979400
2,4-dimethoxy-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 17177149
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 18075073
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
(2,4-dimethoxyphenyl)-pyren-1-ylmethanone
CID 15505944

Frequently Asked Questions

What is the IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide?
The IUPAC name of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide (CID 3600880) is N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide.
What is the SMILES notation for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide?
The canonical SMILES for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)c(OC)c1.
What is the InChIKey of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide?
The InChIKey is RVPJMURZOWDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c1-26-13-9-10-14(17(11-13)27-2)21(25)24-22-23-19-15-7-3-5-12-6-4-8-16(18(12)15)20(19)28-22/h3-11H,1-2H3,(H,23,24,25).
What are the key properties of N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide?
N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide has a molecular weight of 388.45 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acenaphthyleno[1,2-d][1,3]thiazol-8-yl-2,4-dimethoxybenzamide is sourced from PubChem (CID 3600880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).