N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H23N5O3S2 — CID 44610204

IUPACN-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(-c2nc(C)sc2C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C24H23N5O3S2/c1-15-27-21(16-6-5-7-17(12-16)32-2)22(34-15)24(31)29-10-11-33-20(29)14-26-23(30)18-13-25-19-8-3-4-9-28(18)19/h3-9,12-13,20H,10-11,14H2,1-2H3,(H,26,30)
InChIKeyPUCKBFHLDLJWDJ-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.72
Rot. Bonds6

About N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 44610204) has the molecular formula C24H23N5O3S2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID44610204
Molecular FormulaC24H23N5O3S2
Molecular Weight493.61 g/mol
Exact Mass493.12
IUPAC NameN-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccc(-c2nc(C)sc2C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C24H23N5O3S2/c1-15-27-21(16-6-5-7-17(12-16)32-2)22(34-15)24(31)29-10-11-33-20(29)14-26-23(30)18-13-25-19-8-3-4-9-28(18)19/h3-9,12-13,20H,10-11,14H2,1-2H3,(H,26,30)
InChIKeyPUCKBFHLDLJWDJ-UHFFFAOYSA-N
XLogP3.72
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 44610204) is N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1cccc(-c2nc(C)sc2C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PUCKBFHLDLJWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S2/c1-15-27-21(16-6-5-7-17(12-16)32-2)22(34-15)24(31)29-10-11-33-20(29)14-26-23(30)18-13-25-19-8-3-4-9-28(18)19/h3-9,12-13,20H,10-11,14H2,1-2H3,(H,26,30).
What are the key properties of N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 44610204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).