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

C17H11ClN4O2S2 — CID 25023759

IUPAC4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole
SMILESCc1ccc([N+](=O)[O-])cc1Sc1nc(-c2cnc3ccc(Cl)cn23)cs1
InChIInChI=1S/C17H11ClN4O2S2/c1-10-2-4-12(22(23)24)6-15(10)26-17-20-13(9-25-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
InChIKeyNTCQJMZAACTUGT-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.48
Rot. Bonds4

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

4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole (PubChem CID 25023759) has the molecular formula C17H11ClN4O2S2 and a molecular weight of 402.89 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole
PubChem CID25023759
Molecular FormulaC17H11ClN4O2S2
Molecular Weight402.89 g/mol
Exact Mass402.00
IUPAC Name4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole
SMILESCc1ccc([N+](=O)[O-])cc1Sc1nc(-c2cnc3ccc(Cl)cn23)cs1
InChIInChI=1S/C17H11ClN4O2S2/c1-10-2-4-12(22(23)24)6-15(10)26-17-20-13(9-25-17)14-7-19-16-5-3-11(18)8-21(14)16/h2-9H,1H3
InChIKeyNTCQJMZAACTUGT-UHFFFAOYSA-N
XLogP5.48
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.48
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

Imidazo[1,2-a]pyridine derivative, 12
CID 16066756
Imidazo[1,2-a]pyridine derivative, 8
CID 25023758
Imidazo[1,2-a]pyridine derivative, 15
CID 25023760
Imidazo[1,2-a]pyridine derivative, 14b
CID 25023761
9-(4-Chloro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-purine
CID 11464060
9-(3-Chloro-benzyl)-6-(4-nitro-benzylsulfanyl)-9H-purine
CID 11212078
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
N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446631

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole (CID 25023759) is 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole is Cc1ccc([N+](=O)[O-])cc1Sc1nc(-c2cnc3ccc(Cl)cn23)cs1.
What is the InChIKey of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole?
The InChIKey is NTCQJMZAACTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S2/c1-10-2-4-12(22(23)24)6-15(10)26-17-20-13(9-25-17)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)sulfanyl-1,3-thiazole?
4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole has a molecular weight of 402.89 g/mol, XLogP of 5.48, 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)sulfanyl-1,3-thiazole is sourced from PubChem (CID 25023759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).