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

C23H20FN5O2S2 — CID 44610356

IUPACN-[[3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)s1
InChIInChI=1S/C23H20FN5O2S2/c1-14-27-20(15-5-7-16(24)8-6-15)21(33-14)23(31)29-10-11-32-19(29)13-26-22(30)17-12-25-18-4-2-3-9-28(17)18/h2-9,12,19H,10-11,13H2,1H3,(H,26,30)
InChIKeyGBJACRIJOXFSNM-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.85
Rot. Bonds5

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

N-[[3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 44610356) has the molecular formula C23H20FN5O2S2 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[[3-[4-(4-fluorophenyl)-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-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID44610356
Molecular FormulaC23H20FN5O2S2
Molecular Weight481.58 g/mol
Exact Mass481.10
IUPAC NameN-[[3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)s1
InChIInChI=1S/C23H20FN5O2S2/c1-14-27-20(15-5-7-16(24)8-6-15)21(33-14)23(31)29-10-11-32-19(29)13-26-22(30)17-12-25-18-4-2-3-9-28(17)18/h2-9,12,19H,10-11,13H2,1H3,(H,26,30)
InChIKeyGBJACRIJOXFSNM-UHFFFAOYSA-N
XLogP3.85
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(4-fluorophenyl)-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-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 44610356) is N-[[3-[4-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)s1.
What is the InChIKey of N-[[3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GBJACRIJOXFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S2/c1-14-27-20(15-5-7-16(24)8-6-15)21(33-14)23(31)29-10-11-32-19(29)13-26-22(30)17-12-25-18-4-2-3-9-28(17)18/h2-9,12,19H,10-11,13H2,1H3,(H,26,30).
What are the key properties of N-[[3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[[3-[4-(4-fluorophenyl)-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 481.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(4-fluorophenyl)-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 44610356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).