N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide

C25H17N3O2S — CID 90625760

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2ccsc2n1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H17N3O2S/c29-24(23-17-8-2-5-11-21(17)30-22-12-6-3-9-18(22)23)26-19-10-4-1-7-16(19)20-15-28-13-14-31-25(28)27-20/h1-15,23H,(H,26,29)
InChIKeyYTCNALLIYREMSI-UHFFFAOYSA-N
MW423.50 g/mol
LogP5.94
Rot. Bonds3

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide (PubChem CID 90625760) has the molecular formula C25H17N3O2S and a molecular weight of 423.50 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide
PubChem CID90625760
Molecular FormulaC25H17N3O2S
Molecular Weight423.50 g/mol
Exact Mass423.10
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2ccsc2n1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H17N3O2S/c29-24(23-17-8-2-5-11-21(17)30-22-12-6-3-9-18(22)23)26-19-10-4-1-7-16(19)20-15-28-13-14-31-25(28)27-20/h1-15,23H,(H,26,29)
InChIKeyYTCNALLIYREMSI-UHFFFAOYSA-N
XLogP5.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-3-carboxamide
CID 129410497
(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
CID 90625813
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625768
1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 90626818
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90625995
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(1H-indol-3-yl)acetamide
CID 90625833
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-2-sulfonamide
CID 90626781
2-(4-chlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625722
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
6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 3528662

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide (CID 90625760) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide is O=C(Nc1ccccc1-c1cn2ccsc2n1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is YTCNALLIYREMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2S/c29-24(23-17-8-2-5-11-21(17)30-22-12-6-3-9-18(22)23)26-19-10-4-1-7-16(19)20-15-28-13-14-31-25(28)27-20/h1-15,23H,(H,26,29).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 90625760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).