3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide

C24H21ClN4O2S — CID 27509113

IUPAC3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc3n(c2CNC(=O)c2c(-c4ccccc4Cl)noc2C)CCS3)cc1
InChIInChI=1S/C24H21ClN4O2S/c1-14-7-9-16(10-8-14)21-19(29-11-12-32-24(29)27-21)13-26-23(30)20-15(2)31-28-22(20)17-5-3-4-6-18(17)25/h3-10H,11-13H2,1-2H3,(H,26,30)
InChIKeyZEVQNCJPUDVSFL-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.51
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 27509113) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID27509113
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc3n(c2CNC(=O)c2c(-c4ccccc4Cl)noc2C)CCS3)cc1
InChIInChI=1S/C24H21ClN4O2S/c1-14-7-9-16(10-8-14)21-19(29-11-12-32-24(29)27-21)13-26-23(30)20-15(2)31-28-22(20)17-5-3-4-6-18(17)25/h3-10H,11-13H2,1-2H3,(H,26,30)
InChIKeyZEVQNCJPUDVSFL-UHFFFAOYSA-N
XLogP5.51
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

2-chloro-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]benzamide
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CID 27564684
3-(2-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 16866948
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CID 122318020
3-(2-chlorophenyl)-5-methyl-N-(naphthalen-1-ylmethyl)-1,2-oxazole-4-carboxamide
CID 112817008
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
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CID 4102292
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
3-(2-chlorophenyl)-5-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122318975
3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 90546480
N-[[6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide (CID 27509113) is 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide is Cc1ccc(-c2nc3n(c2CNC(=O)c2c(-c4ccccc4Cl)noc2C)CCS3)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZEVQNCJPUDVSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c1-14-7-9-16(10-8-14)21-19(29-11-12-32-24(29)27-21)13-26-23(30)20-15(2)31-28-22(20)17-5-3-4-6-18(17)25/h3-10H,11-13H2,1-2H3,(H,26,30).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 464.98 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 27509113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).