4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole

C17H11ClN4O3S2 — CID 25023760

IUPAC4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)c1nc(-c2cnc3ccc(Cl)cn23)cs1
InChIInChI=1S/C17H11ClN4O3S2/c1-10-2-4-12(22(23)24)6-15(10)27(25)17-20-13(9-26-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
InChIKeyADSDNLVIHODCEH-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.49
Rot. Bonds4

About 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole

4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole (PubChem CID 25023760) has the molecular formula C17H11ClN4O3S2 and a molecular weight of 418.89 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole
PubChem CID25023760
Molecular FormulaC17H11ClN4O3S2
Molecular Weight418.89 g/mol
Exact Mass418.00
IUPAC Name4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)c1nc(-c2cnc3ccc(Cl)cn23)cs1
InChIInChI=1S/C17H11ClN4O3S2/c1-10-2-4-12(22(23)24)6-15(10)27(25)17-20-13(9-26-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
InChIKeyADSDNLVIHODCEH-UHFFFAOYSA-N
XLogP4.49
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.49
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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Related Compounds

Imidazopyridine derivative, 8d
CID 18766054
Imidazo[1,2-a]pyridine derivative, 12
CID 16066756
Imidazo[1,2-a]pyridine derivative, 2e
CID 25023757
Imidazo[1,2-a]pyridine derivative, 8
CID 25023758
4-{6-Chloroimidazo[1,2-a]pyridin-3-yl}-2-[(2-methyl-5-nitrophenyl)sulfanyl]-1,3-thiazole
CID 25023759
Imidazo[1,2-a]pyridine derivative, 14b
CID 25023761
N-[(E)-(6-chloroimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 45263521
4-(6-Chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfonyl-1,3-thiazole;hydrochloride
CID 16757578
6-Chloro-3-[1-(2-methyl-5-nitrophenyl)sulfonylpyrrol-3-yl]imidazo[1,2-a]pyridine;hydrochloride
CID 45263479
[2-[[4-(6-Chloroimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]sulfinyl]-4-nitrophenyl]methanol;hydrochloride
CID 45263480
4-(6-Chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride
CID 45263481
4-(6-Chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole;hydrochloride
CID 45265793

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole?
The IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole (CID 25023760) is 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole?
The canonical SMILES for 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole is Cc1ccc([N+](=O)[O-])cc1S(=O)c1nc(-c2cnc3ccc(Cl)cn23)cs1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole?
The InChIKey is ADSDNLVIHODCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O3S2/c1-10-2-4-12(22(23)24)6-15(10)27(25)17-20-13(9-26-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3.
What are the key properties of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole?
4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole has a molecular weight of 418.89 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfinyl-1,3-thiazole is sourced from PubChem (CID 25023760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).