3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C22H15ClN4O2S — CID 90625926

IUPAC3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C22H15ClN4O2S/c1-13-19(20(26-29-13)14-6-2-4-8-16(14)23)21(28)24-17-9-5-3-7-15(17)18-12-27-10-11-30-22(27)25-18/h2-12H,1H3,(H,24,28)
InChIKeyBKJHJKRCKUNBGA-UHFFFAOYSA-N
MW434.91 g/mol
LogP5.93
Rot. Bonds4

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

3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 90625926) has the molecular formula C22H15ClN4O2S and a molecular weight of 434.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID90625926
Molecular FormulaC22H15ClN4O2S
Molecular Weight434.91 g/mol
Exact Mass434.06
IUPAC Name3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C22H15ClN4O2S/c1-13-19(20(26-29-13)14-6-2-4-8-16(14)23)21(28)24-17-9-5-3-7-15(17)18-12-27-10-11-30-22(27)25-18/h2-12H,1H3,(H,24,28)
InChIKeyBKJHJKRCKUNBGA-UHFFFAOYSA-N
XLogP5.93
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.91
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3443084
3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122323568
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 90626025
1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 90626818
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78829449
(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
CID 90625813
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78829081
3-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylbenzenesulfonamide
CID 90626777

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 90625926) is 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1-c1cn2ccsc2n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BKJHJKRCKUNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O2S/c1-13-19(20(26-29-13)14-6-2-4-8-16(14)23)21(28)24-17-9-5-3-7-15(17)18-12-27-10-11-30-22(27)25-18/h2-12H,1H3,(H,24,28).
What are the key properties of 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90625926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).