N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C26H22N4O2S — CID 122323364

IUPACN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C26H22N4O2S/c1-16-8-7-13-30-15-21(28-24(16)30)19-11-12-22(32-3)20(14-19)29-25(31)23-17(2)27-26(33-23)18-9-5-4-6-10-18/h4-15H,1-3H3,(H,29,31)
InChIKeyNFUZFOFBOCGHAY-UHFFFAOYSA-N
MW454.56 g/mol
LogP6.00
Rot. Bonds5

About N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122323364) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID122323364
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC NameN-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C26H22N4O2S/c1-16-8-7-13-30-15-21(28-24(16)30)19-11-12-22(32-3)20(14-19)29-25(31)23-17(2)27-26(33-23)18-9-5-4-6-10-18/h4-15H,1-3H3,(H,29,31)
InChIKeyNFUZFOFBOCGHAY-UHFFFAOYSA-N
XLogP6.00
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 122323364) is N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2cn3cccc(C)c3n2)cc1NC(=O)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is NFUZFOFBOCGHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c1-16-8-7-13-30-15-21(28-24(16)30)19-11-12-22(32-3)20(14-19)29-25(31)23-17(2)27-26(33-23)18-9-5-4-6-10-18/h4-15H,1-3H3,(H,29,31).
What are the key properties of N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 454.56 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122323364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).