[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene

C23H17N5S — CID 46197430

IUPAC[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene
SMILESCc1nc(-c2ccccc2)sc1-c1nc2ccccn2c1/N=N/c1ccccc1
InChIInChI=1S/C23H17N5S/c1-16-21(29-23(24-16)17-10-4-2-5-11-17)20-22(27-26-18-12-6-3-7-13-18)28-15-9-8-14-19(28)25-20/h2-15H,1H3/b27-26+
InChIKeyRKZBFLFSLICNDB-CYYJNZCTSA-N
MW395.49 g/mol
LogP6.85
Rot. Bonds4

About [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene

[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene (PubChem CID 46197430) has the molecular formula C23H17N5S and a molecular weight of 395.49 g/mol. Its IUPAC name is [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene.

Molecular Properties

Compound Name[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene
PubChem CID46197430
Molecular FormulaC23H17N5S
Molecular Weight395.49 g/mol
Exact Mass395.12
IUPAC Name[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene
SMILESCc1nc(-c2ccccc2)sc1-c1nc2ccccn2c1/N=N/c1ccccc1
InChIInChI=1S/C23H17N5S/c1-16-21(29-23(24-16)17-10-4-2-5-11-17)20-22(27-26-18-12-6-3-7-13-18)28-15-9-8-14-19(28)25-20/h2-15H,1H3/b27-26+
InChIKeyRKZBFLFSLICNDB-CYYJNZCTSA-N
XLogP6.85
TPSA54.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.49
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

E6Clv6G2RR
CID 16750138
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
9-butyl-8-[(7-methyl-1,3-benzothiazol-2-yl)sulfanyl]-9H-purin-6-amine
CID 11850634
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene?
The IUPAC name of [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene (CID 46197430) is [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene.
What is the SMILES notation for [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene?
The canonical SMILES for [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene is Cc1nc(-c2ccccc2)sc1-c1nc2ccccn2c1/N=N/c1ccccc1.
What is the InChIKey of [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene?
The InChIKey is RKZBFLFSLICNDB-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H17N5S/c1-16-21(29-23(24-16)17-10-4-2-5-11-17)20-22(27-26-18-12-6-3-7-13-18)28-15-9-8-14-19(28)25-20/h2-15H,1H3/b27-26+.
What are the key properties of [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene?
[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene has a molecular weight of 395.49 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-phenyldiazene is sourced from PubChem (CID 46197430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).