(2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

C22H20N4O4S — CID 125055657

IUPAC(2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1
InChIInChI=1S/C22H20N4O4S/c1-13-12-25-21(20(24-22(25)31-13)16-5-3-4-10-23-16)18-9-8-17(30-18)15-7-6-14(26(27)28)11-19(15)29-2/h3-11,13,20-21H,12H2,1-2H3/t13-,20+,21-/m1/s1
InChIKeyRPFGMBYKVVQZPW-HBUDHLSFSA-N
MW436.49 g/mol
LogP4.85
Rot. Bonds5

About (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

(2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (PubChem CID 125055657) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name(2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
PubChem CID125055657
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name(2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1
InChIInChI=1S/C22H20N4O4S/c1-13-12-25-21(20(24-22(25)31-13)16-5-3-4-10-23-16)18-9-8-17(30-18)15-7-6-14(26(27)28)11-19(15)29-2/h3-11,13,20-21H,12H2,1-2H3/t13-,20+,21-/m1/s1
InChIKeyRPFGMBYKVVQZPW-HBUDHLSFSA-N
XLogP4.85
TPSA94.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][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

Related Compounds

(2R,5S,6S)-5-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125052800
5-(3,4-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 133180354
(2R,5S,6R)-2-methyl-5-[1-(3-nitrophenyl)pyrrol-2-yl]-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125053326
1-(3,5-dimethylphenyl)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158514
5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222163
(2R,5R,6S)-5-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125055176
(2R,5R,6R)-5-(5-bromo-2-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056559
4-(2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-5-yl)-2-nitrophenol
CID 133180381
1-[3-chloro-4-(3,5-dimethylpiperidin-1-yl)phenyl]-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133157620
(4S,5R)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100521467
N-[4-[(4S,5R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]methanesulfonamide
CID 100644064
(2R,5R,6S)-5-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 125056571

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole (CID 125055657) is (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1.
What is the InChIKey of (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is RPFGMBYKVVQZPW-HBUDHLSFSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-13-12-25-21(20(24-22(25)31-13)16-5-3-4-10-23-16)18-9-8-17(30-18)15-7-6-14(26(27)28)11-19(15)29-2/h3-11,13,20-21H,12H2,1-2H3/t13-,20+,21-/m1/s1.
What are the key properties of (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole?
(2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 436.49 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6R)-5-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]-2-methyl-6-pyridin-2-yl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 125055657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).