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

C20H23ClN4O3S — CID 71483611

IUPAC2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCCCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21
InChIInChI=1S/C20H23ClN4O3S/c1-2-10-28-17-11-16(14-6-4-3-5-7-14)18(25(26)27)19-23(8-9-24(17)19)13-15-12-22-20(21)29-15/h3-7,12,16-17H,2,8-11,13H2,1H3
InChIKeyJOXFHFNQBYBLGR-UHFFFAOYSA-N
MW434.95 g/mol
LogP4.30
Rot. Bonds7

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

2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (PubChem CID 71483611) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is 2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
PubChem CID71483611
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCCCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21
InChIInChI=1S/C20H23ClN4O3S/c1-2-10-28-17-11-16(14-6-4-3-5-7-14)18(25(26)27)19-23(8-9-24(17)19)13-15-12-22-20(21)29-15/h3-7,12,16-17H,2,8-11,13H2,1H3
InChIKeyJOXFHFNQBYBLGR-UHFFFAOYSA-N
XLogP4.30
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 54.30
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-[(8-nitro-7-phenyl-5-propoxy-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-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (CID 71483611) is 2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-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-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole is CCCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21.
What is the InChIKey of 2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The InChIKey is JOXFHFNQBYBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-2-10-28-17-11-16(14-6-4-3-5-7-14)18(25(26)27)19-23(8-9-24(17)19)13-15-12-22-20(21)29-15/h3-7,12,16-17H,2,8-11,13H2,1H3.
What are the key properties of 2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole has a molecular weight of 434.95 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(8-nitro-7-phenyl-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 71483611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).