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

C17H12Cl2N4O2S2 — CID 45263481

IUPAC4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride
SMILESCc1ccc([N+](=O)[O-])cc1Sc1nc(-c2cnc3ccc(Cl)cn23)cs1.Cl
InChIInChI=1S/C17H11ClN4O2S2.ClH/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;1H
InChIKeyQWRAYGVKZSOECZ-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.90
Rot. Bonds4

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

4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride (PubChem CID 45263481) has the molecular formula C17H12Cl2N4O2S2 and a molecular weight of 439.35 g/mol. Its IUPAC name is 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride
PubChem CID45263481
Molecular FormulaC17H12Cl2N4O2S2
Molecular Weight439.35 g/mol
Exact Mass437.98
IUPAC Name4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride
SMILESCc1ccc([N+](=O)[O-])cc1Sc1nc(-c2cnc3ccc(Cl)cn23)cs1.Cl
InChIInChI=1S/C17H11ClN4O2S2.ClH/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;1H
InChIKeyQWRAYGVKZSOECZ-UHFFFAOYSA-N
XLogP5.90
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.90
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 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride (CID 45263481) is 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride is Cc1ccc([N+](=O)[O-])cc1Sc1nc(-c2cnc3ccc(Cl)cn23)cs1.Cl.
What is the InChIKey of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride?
The InChIKey is QWRAYGVKZSOECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S2.ClH/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;1H.
What are the key properties of 4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride?
4-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-(2-methyl-5-nitrophenyl)sulfanyl-1,3-thiazole;hydrochloride has a molecular weight of 439.35 g/mol, XLogP of 5.90, 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;hydrochloride is sourced from PubChem (CID 45263481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).