1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea

C18H12Cl2N4OS — CID 90626818

IUPAC1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C18H12Cl2N4OS/c19-11-5-6-13(20)15(9-11)22-17(25)21-14-4-2-1-3-12(14)16-10-24-7-8-26-18(24)23-16/h1-10H,(H2,21,22,25)
InChIKeyJXLPDVJVWYGAEF-UHFFFAOYSA-N
MW403.29 g/mol
LogP6.01
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea

1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea (PubChem CID 90626818) has the molecular formula C18H12Cl2N4OS and a molecular weight of 403.29 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
PubChem CID90626818
Molecular FormulaC18H12Cl2N4OS
Molecular Weight403.29 g/mol
Exact Mass402.01
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1ccccc1-c1cn2ccsc2n1
InChIInChI=1S/C18H12Cl2N4OS/c19-11-5-6-13(20)15(9-11)22-17(25)21-14-4-2-1-3-12(14)16-10-24-7-8-26-18(24)23-16/h1-10H,(H2,21,22,25)
InChIKeyJXLPDVJVWYGAEF-UHFFFAOYSA-N
XLogP6.01
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625722
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
CID 90625813
2-chloro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 90626756
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
3-(2-chlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 90625926
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide
CID 90625760
3-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 90626010
(3R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)oxolane-3-carboxamide
CID 129410497
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)propane-2-sulfonamide
CID 90626781
1-(3-chlorophenyl)-3-(2-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121149709

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea (CID 90626818) is 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea is O=C(Nc1cc(Cl)ccc1Cl)Nc1ccccc1-c1cn2ccsc2n1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The InChIKey is JXLPDVJVWYGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4OS/c19-11-5-6-13(20)15(9-11)22-17(25)21-14-4-2-1-3-12(14)16-10-24-7-8-26-18(24)23-16/h1-10H,(H2,21,22,25).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea has a molecular weight of 403.29 g/mol, XLogP of 6.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea is sourced from PubChem (CID 90626818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).