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

C19H15FN4OS — CID 43936550

IUPAC1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1F
InChIInChI=1S/C19H15FN4OS/c1-12-2-5-15(10-16(12)20)22-18(25)21-14-6-3-13(4-7-14)17-11-24-8-9-26-19(24)23-17/h2-11H,1H3,(H2,21,22,25)
InChIKeyAJDJDQMDVVEMJB-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.15
Rot. Bonds3

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

1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea (PubChem CID 43936550) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
PubChem CID43936550
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1F
InChIInChI=1S/C19H15FN4OS/c1-12-2-5-15(10-16(12)20)22-18(25)21-14-6-3-13(4-7-14)17-11-24-8-9-26-19(24)23-17/h2-11H,1H3,(H2,21,22,25)
InChIKeyAJDJDQMDVVEMJB-UHFFFAOYSA-N
XLogP5.15
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
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)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
1-(3-fluoro-4-methylphenyl)-3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121090060
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
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,5-dimethylbenzenesulfonamide
CID 40696843
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 130283677
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea (CID 43936550) is 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
The InChIKey is AJDJDQMDVVEMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-12-2-5-15(10-16(12)20)22-18(25)21-14-6-3-13(4-7-14)17-11-24-8-9-26-19(24)23-17/h2-11H,1H3,(H2,21,22,25).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea?
1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea has a molecular weight of 366.42 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea is sourced from PubChem (CID 43936550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).