1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea

C19H16N4OS — CID 43936533

IUPAC1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C19H16N4OS/c1-13-2-6-15(7-3-13)20-18(24)21-16-8-4-14(5-9-16)17-12-23-10-11-25-19(23)22-17/h2-12H,1H3,(H2,20,21,24)
InChIKeyIHNBTKOSCJWNGQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.02
Rot. Bonds3

About 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea

1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea (PubChem CID 43936533) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
PubChem CID43936533
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1
InChIInChI=1S/C19H16N4OS/c1-13-2-6-15(7-3-13)20-18(24)21-16-8-4-14(5-9-16)17-12-23-10-11-25-19(23)22-17/h2-12H,1H3,(H2,20,21,24)
InChIKeyIHNBTKOSCJWNGQ-UHFFFAOYSA-N
XLogP5.02
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 43936550
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 43936531
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-[1-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3412238
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 37038934
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9266854
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
CID 42907324

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea (CID 43936533) is 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1.
What is the InChIKey of 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea?
The InChIKey is IHNBTKOSCJWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-2-6-15(7-3-13)20-18(24)21-16-8-4-14(5-9-16)17-12-23-10-11-25-19(23)22-17/h2-12H,1H3,(H2,20,21,24).
What are the key properties of 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea?
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea has a molecular weight of 348.43 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 43936533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).