N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide

C21H22N2O5S — CID 67120429

IUPACN-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)C2CSC(c3ccc(NC(C)=O)cc3)=N2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5S/c1-12(24)22-15-7-5-13(6-8-15)21-23-16(11-29-21)19(25)14-9-17(26-2)20(28-4)18(10-14)27-3/h5-10,16H,11H2,1-4H3,(H,22,24)
InChIKeyGECNJBJBTSSCGN-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.42
Rot. Bonds7

About N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide

N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide (PubChem CID 67120429) has the molecular formula C21H22N2O5S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide
PubChem CID67120429
Molecular FormulaC21H22N2O5S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)C2CSC(c3ccc(NC(C)=O)cc3)=N2)cc(OC)c1OC
InChIInChI=1S/C21H22N2O5S/c1-12(24)22-15-7-5-13(6-8-15)21-23-16(11-29-21)19(25)14-9-17(26-2)20(28-4)18(10-14)27-3/h5-10,16H,11H2,1-4H3,(H,22,24)
InChIKeyGECNJBJBTSSCGN-UHFFFAOYSA-N
XLogP3.42
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 66779242
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69034335
N-[4-[3-(3,4,5-trimethoxyphenyl)-7H-cyclopenta[b]pyridin-5-yl]phenyl]acetamide
CID 162100274
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-[4-[5-[1-(3,4,5-trimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835838
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
[2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69036199
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
(2-pyridin-4-yl-1,3-thiazolidin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 67120512
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(4-acetylphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987472

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide (CID 67120429) is N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide is COc1cc(C(=O)C2CSC(c3ccc(NC(C)=O)cc3)=N2)cc(OC)c1OC.
What is the InChIKey of N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide?
The InChIKey is GECNJBJBTSSCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S/c1-12(24)22-15-7-5-13(6-8-15)21-23-16(11-29-21)19(25)14-9-17(26-2)20(28-4)18(10-14)27-3/h5-10,16H,11H2,1-4H3,(H,22,24).
What are the key properties of N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide?
N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4,5-trimethoxybenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 67120429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).