2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole

C18H19ClN4O3S — CID 71483609

IUPAC2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21
InChIInChI=1S/C18H19ClN4O3S/c1-26-15-9-14(12-5-3-2-4-6-12)16(23(24)25)17-21(7-8-22(15)17)11-13-10-20-18(19)27-13/h2-6,10,14-15H,7-9,11H2,1H3
InChIKeyIDXXGDDPHJKTAL-UHFFFAOYSA-N
MW406.90 g/mol
LogP3.52
Rot. Bonds5

About 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole

2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (PubChem CID 71483609) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
PubChem CID71483609
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21
InChIInChI=1S/C18H19ClN4O3S/c1-26-15-9-14(12-5-3-2-4-6-12)16(23(24)25)17-21(7-8-22(15)17)11-13-10-20-18(19)27-13/h2-6,10,14-15H,7-9,11H2,1H3
InChIKeyIDXXGDDPHJKTAL-UHFFFAOYSA-N
XLogP3.52
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (CID 71483609) is 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole is COC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21.
What is the InChIKey of 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The InChIKey is IDXXGDDPHJKTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-26-15-9-14(12-5-3-2-4-6-12)16(23(24)25)17-21(7-8-22(15)17)11-13-10-20-18(19)27-13/h2-6,10,14-15H,7-9,11H2,1H3.
What are the key properties of 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole has a molecular weight of 406.90 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-methoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 71483609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).