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

C21H19N3O4S — CID 5453036

IUPACN-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=c3/sc4n(c3=O)CCN=4)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-27-16-8-4-15(5-9-16)23-19(25)13-28-17-6-2-14(3-7-17)12-18-20(26)24-11-10-22-21(24)29-18/h2-9,12H,10-11,13H2,1H3,(H,23,25)/b18-12+
InChIKeyCOBFDYKGQKIORQ-LDADJPATSA-N
MW409.47 g/mol
LogP1.40
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide (PubChem CID 5453036) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
PubChem CID5453036
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(/C=c3/sc4n(c3=O)CCN=4)cc2)cc1
InChIInChI=1S/C21H19N3O4S/c1-27-16-8-4-15(5-9-16)23-19(25)13-28-17-6-2-14(3-7-17)12-18-20(26)24-11-10-22-21(24)29-18/h2-9,12H,10-11,13H2,1H3,(H,23,25)/b18-12+
InChIKeyCOBFDYKGQKIORQ-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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Frequently Asked Questions

What is the IUPAC name of N-(4-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-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide (CID 5453036) is N-(4-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-(4-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-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide is COc1ccc(NC(=O)COc2ccc(/C=c3/sc4n(c3=O)CCN=4)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide?
The InChIKey is COBFDYKGQKIORQ-LDADJPATSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-27-16-8-4-15(5-9-16)23-19(25)13-28-17-6-2-14(3-7-17)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-(4-methoxyphenyl)-2-[4-[(E)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide?
N-(4-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-(4-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 5453036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).