(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea

C15H14N4S — CID 169358367

IUPAC(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(N)=S
InChIInChI=1S/C15H14N4S/c1-10-5-6-11(8-12(10)18-15(16)20)13-9-19-7-3-2-4-14(19)17-13/h2-9H,1H3,(H3,16,18,20)
InChIKeyJUTPHLBKPPAEKQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.97
Rot. Bonds2

About (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea

(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea (PubChem CID 169358367) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea.

Molecular Properties

Compound Name(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea
PubChem CID169358367
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(N)=S
InChIInChI=1S/C15H14N4S/c1-10-5-6-11(8-12(10)18-15(16)20)13-9-19-7-3-2-4-14(19)17-13/h2-9H,1H3,(H3,16,18,20)
InChIKeyJUTPHLBKPPAEKQ-UHFFFAOYSA-N
XLogP2.97
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,4-dimethylbenzamide
CID 121055609
2-ethyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)butanamide
CID 121055624
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3-methylbenzamide
CID 121055646
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxyacetamide
CID 121055747
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 19234119
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 45134937
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122283530
2-cyclopentyl-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)acetamide
CID 122283543
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 122283548
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)ethanesulfonamide
CID 23608319
3-(5-imidazo[1,2-a]pyridin-2-yl-2-methylanilino)propane-1,2-diol
CID 168595719

Frequently Asked Questions

What is the IUPAC name of (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea?
The IUPAC name of (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea (CID 169358367) is (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea.
What is the SMILES notation for (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea?
The canonical SMILES for (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea is Cc1ccc(-c2cn3ccccc3n2)cc1NC(N)=S.
What is the InChIKey of (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea?
The InChIKey is JUTPHLBKPPAEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-5-6-11(8-12(10)18-15(16)20)13-9-19-7-3-2-4-14(19)17-13/h2-9H,1H3,(H3,16,18,20).
What are the key properties of (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea?
(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea has a molecular weight of 282.37 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)thiourea is sourced from PubChem (CID 169358367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).