N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide

C28H26N4O3S — CID 56984049

IUPACN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cc3cn4ccc(C)cc4n3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26N4O3S/c1-18-12-13-32-17-21(30-24(32)14-18)15-25(33)29-16-26-31-27(19-4-8-22(34-2)9-5-19)28(36-26)20-6-10-23(35-3)11-7-20/h4-14,17H,15-16H2,1-3H3,(H,29,33)
InChIKeyFYYFISBPZVMFSC-UHFFFAOYSA-N
MW498.61 g/mol
LogP5.31
Rot. Bonds8

About N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide

N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide (PubChem CID 56984049) has the molecular formula C28H26N4O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide
PubChem CID56984049
Molecular FormulaC28H26N4O3S
Molecular Weight498.61 g/mol
Exact Mass498.17
IUPAC NameN-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide
SMILESCOc1ccc(-c2nc(CNC(=O)Cc3cn4ccc(C)cc4n3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H26N4O3S/c1-18-12-13-32-17-21(30-24(32)14-18)15-25(33)29-16-26-31-27(19-4-8-22(34-2)9-5-19)28(36-26)20-6-10-23(35-3)11-7-20/h4-14,17H,15-16H2,1-3H3,(H,29,33)
InChIKeyFYYFISBPZVMFSC-UHFFFAOYSA-N
XLogP5.31
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide (CID 56984049) is N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide is COc1ccc(-c2nc(CNC(=O)Cc3cn4ccc(C)cc4n3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
The InChIKey is FYYFISBPZVMFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3S/c1-18-12-13-32-17-21(30-24(32)14-18)15-25(33)29-16-26-31-27(19-4-8-22(34-2)9-5-19)28(36-26)20-6-10-23(35-3)11-7-20/h4-14,17H,15-16H2,1-3H3,(H,29,33).
What are the key properties of N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide?
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide has a molecular weight of 498.61 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(7-methylimidazo[1,2-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 56984049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).