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

C19H21ClN4O3S — CID 71483463

IUPAC2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCC1CC(OCc2ccccc2)N2CCN(Cc3cnc(Cl)s3)C2=C1[N+](=O)[O-]
InChIInChI=1S/C19H21ClN4O3S/c1-13-9-16(27-12-14-5-3-2-4-6-14)23-8-7-22(18(23)17(13)24(25)26)11-15-10-21-19(20)28-15/h2-6,10,13,16H,7-9,11-12H2,1H3
InChIKeyZVYOPRBSLJCEQX-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.94
Rot. Bonds6

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

2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (PubChem CID 71483463) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
PubChem CID71483463
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCC1CC(OCc2ccccc2)N2CCN(Cc3cnc(Cl)s3)C2=C1[N+](=O)[O-]
InChIInChI=1S/C19H21ClN4O3S/c1-13-9-16(27-12-14-5-3-2-4-6-14)23-8-7-22(18(23)17(13)24(25)26)11-15-10-21-19(20)28-15/h2-6,10,13,16H,7-9,11-12H2,1H3
InChIKeyZVYOPRBSLJCEQX-UHFFFAOYSA-N
XLogP3.94
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.94
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-[(7-methyl-8-nitro-5-phenylmethoxy-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-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (CID 71483463) is 2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-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-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole is CC1CC(OCc2ccccc2)N2CCN(Cc3cnc(Cl)s3)C2=C1[N+](=O)[O-].
What is the InChIKey of 2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZVYOPRBSLJCEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-13-9-16(27-12-14-5-3-2-4-6-14)23-8-7-22(18(23)17(13)24(25)26)11-15-10-21-19(20)28-15/h2-6,10,13,16H,7-9,11-12H2,1H3.
What are the key properties of 2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole has a molecular weight of 420.92 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(7-methyl-8-nitro-5-phenylmethoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 71483463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).