2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide

C29H22N4O5S — CID 71952920

IUPAC2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3sc(=C4C(=O)N(CC(N)=O)c5ccccc54)c(=O)n3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H22N4O5S/c1-37-18-11-7-16(8-12-18)24-25(17-9-13-19(38-2)14-10-17)33-28(36)26(39-29(33)31-24)23-20-5-3-4-6-21(20)32(27(23)35)15-22(30)34/h3-14H,15H2,1-2H3,(H2,30,34)
InChIKeySANKXCDMCXRDHA-UHFFFAOYSA-N
MW538.59 g/mol
LogP2.86
Rot. Bonds6

About 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide

2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide (PubChem CID 71952920) has the molecular formula C29H22N4O5S and a molecular weight of 538.59 g/mol. Its IUPAC name is 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide
PubChem CID71952920
Molecular FormulaC29H22N4O5S
Molecular Weight538.59 g/mol
Exact Mass538.13
IUPAC Name2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3sc(=C4C(=O)N(CC(N)=O)c5ccccc54)c(=O)n3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H22N4O5S/c1-37-18-11-7-16(8-12-18)24-25(17-9-13-19(38-2)14-10-17)33-28(36)26(39-29(33)31-24)23-20-5-3-4-6-21(20)32(27(23)35)15-22(30)34/h3-14H,15H2,1-2H3,(H2,30,34)
InChIKeySANKXCDMCXRDHA-UHFFFAOYSA-N
XLogP2.86
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.59
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide?
The IUPAC name of 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide (CID 71952920) is 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide?
The canonical SMILES for 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide is COc1ccc(-c2nc3sc(=C4C(=O)N(CC(N)=O)c5ccccc54)c(=O)n3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide?
The InChIKey is SANKXCDMCXRDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O5S/c1-37-18-11-7-16(8-12-18)24-25(17-9-13-19(38-2)14-10-17)33-28(36)26(39-29(33)31-24)23-20-5-3-4-6-21(20)32(27(23)35)15-22(30)34/h3-14H,15H2,1-2H3,(H2,30,34).
What are the key properties of 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide?
2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide has a molecular weight of 538.59 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5,6-bis(4-methoxyphenyl)-3-oxoimidazo[2,1-b][1,3]thiazol-2-ylidene]-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 71952920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).