N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide

C21H19N3O4S — CID 1208504

IUPACN-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1
InChIInChI=1S/C21H19N3O4S/c1-27-17-5-3-2-4-16(17)23-19(25)13-28-15-8-6-14(7-9-15)12-18-20(26)24-11-10-22-21(24)29-18/h2-9,12H,10-11,13H2,1H3,(H,23,25)/b18-12+
InChIKeyPAQISHJOVJXUJU-LDADJPATSA-N
MW409.47 g/mol
LogP1.40
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide

N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide (PubChem CID 1208504) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
PubChem CID1208504
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1
InChIInChI=1S/C21H19N3O4S/c1-27-17-5-3-2-4-16(17)23-19(25)13-28-15-8-6-14(7-9-15)12-18-20(26)24-11-10-22-21(24)29-18/h2-9,12H,10-11,13H2,1H3,(H,23,25)/b18-12+
InChIKeyPAQISHJOVJXUJU-LDADJPATSA-N
XLogP1.40
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
CID 5453036
N-cyclohexyl-2-[4-[(E)-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene)methyl]phenoxy]acetamide
CID 1232892
ethyl (2E,5S)-2-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylidene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126013222
2-[(5Z)-5-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 126282262
2-(4-hydroxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 43326297
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 17397411
(2Z)-2-[(4-methylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6137347
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 6513009
N-(2,3-dimethylphenyl)-2-[(5Z)-5-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126278066
N-(2-methoxyphenyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24647330
N-(2,5-dimethylphenyl)-2-[(5Z)-5-[[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126279943
2-[2-ethoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126015724

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide (CID 1208504) is N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide?
The InChIKey is PAQISHJOVJXUJU-LDADJPATSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-27-17-5-3-2-4-16(17)23-19(25)13-28-15-8-6-14(7-9-15)12-18-20(26)24-11-10-22-21(24)29-18/h2-9,12H,10-11,13H2,1H3,(H,23,25)/b18-12+.
What are the key properties of N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide has a molecular weight of 409.47 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 1208504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).