N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C24H19N5O2S2 — CID 171933659

IUPACN-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H19N5O2S2/c1-33(30,31)19-12-10-18(11-13-19)23-21(29-14-6-5-9-22(29)27-23)15-25-28-24-26-20(16-32-24)17-7-3-2-4-8-17/h2-16H,1H3,(H,26,28)/b25-15+
InChIKeyMGBPBXOVDYNSSA-MFKUBSTISA-N
MW473.58 g/mol
LogP4.97
Rot. Bonds6

About N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 171933659) has the molecular formula C24H19N5O2S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID171933659
Molecular FormulaC24H19N5O2S2
Molecular Weight473.58 g/mol
Exact Mass473.10
IUPAC NameN-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H19N5O2S2/c1-33(30,31)19-12-10-18(11-13-19)23-21(29-14-6-5-9-22(29)27-23)15-25-28-24-26-20(16-32-24)17-7-3-2-4-8-17/h2-16H,1H3,(H,26,28)/b25-15+
InChIKeyMGBPBXOVDYNSSA-MFKUBSTISA-N
XLogP4.97
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-3-phenylthiourea
CID 171933585
N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 171933601
6-bromo-3-[2-[(2E)-2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 139225890
2,6-dimethoxy-4-[(E)-[[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 162656705
N-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 167713581
2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222300
N-[(E)-[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 127032293
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
N-[(3,6-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577859
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 171933659) is N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is MGBPBXOVDYNSSA-MFKUBSTISA-N. The full InChI is InChI=1S/C24H19N5O2S2/c1-33(30,31)19-12-10-18(11-13-19)23-21(29-14-6-5-9-22(29)27-23)15-25-28-24-26-20(16-32-24)17-7-3-2-4-8-17/h2-16H,1H3,(H,26,28)/b25-15+.
What are the key properties of N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 473.58 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 171933659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).