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

C19H21ClN4O3S — CID 71483610

IUPAC2-chloro-5-[(5-ethoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21
InChIInChI=1S/C19H21ClN4O3S/c1-2-27-16-10-15(13-6-4-3-5-7-13)17(24(25)26)18-22(8-9-23(16)18)12-14-11-21-19(20)28-14/h3-7,11,15-16H,2,8-10,12H2,1H3
InChIKeySRSVFWWEZZAPGM-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.91
Rot. Bonds6

About 2-chloro-5-[(5-ethoxy-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-ethoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (PubChem CID 71483610) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-chloro-5-[(5-ethoxy-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-ethoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
PubChem CID71483610
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC Name2-chloro-5-[(5-ethoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole
SMILESCCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21
InChIInChI=1S/C19H21ClN4O3S/c1-2-27-16-10-15(13-6-4-3-5-7-13)17(24(25)26)18-22(8-9-23(16)18)12-14-11-21-19(20)28-14/h3-7,11,15-16H,2,8-10,12H2,1H3
InChIKeySRSVFWWEZZAPGM-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-ethoxy-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-ethoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole (CID 71483610) is 2-chloro-5-[(5-ethoxy-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-ethoxy-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-ethoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole is CCOC1CC(c2ccccc2)C([N+](=O)[O-])=C2N(Cc3cnc(Cl)s3)CCN21.
What is the InChIKey of 2-chloro-5-[(5-ethoxy-8-nitro-7-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-1-yl)methyl]-1,3-thiazole?
The InChIKey is SRSVFWWEZZAPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-2-27-16-10-15(13-6-4-3-5-7-13)17(24(25)26)18-22(8-9-23(16)18)12-14-11-21-19(20)28-14/h3-7,11,15-16H,2,8-10,12H2,1H3.
What are the key properties of 2-chloro-5-[(5-ethoxy-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-ethoxy-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 420.92 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-ethoxy-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 71483610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).