(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine

C19H13ClN4O3S — CID 6267892

IUPAC(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine
SMILESO=[N+]([O-])c1ccc(CO/N=C\c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C19H13ClN4O3S/c20-15-5-3-14(4-6-15)18-17(23-9-10-28-19(23)22-18)11-21-27-12-13-1-7-16(8-2-13)24(25)26/h1-11H,12H2/b21-11-
InChIKeyYKMWMQLDZNVGMY-NHDPSOOVSA-N
MW412.86 g/mol
LogP5.18
Rot. Bonds6

About (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine

(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine (PubChem CID 6267892) has the molecular formula C19H13ClN4O3S and a molecular weight of 412.86 g/mol. Its IUPAC name is (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine
PubChem CID6267892
Molecular FormulaC19H13ClN4O3S
Molecular Weight412.86 g/mol
Exact Mass412.04
IUPAC Name(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine
SMILESO=[N+]([O-])c1ccc(CO/N=C\c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1
InChIInChI=1S/C19H13ClN4O3S/c20-15-5-3-14(4-6-15)18-17(23-9-10-28-19(23)22-18)11-21-27-12-13-1-7-16(8-2-13)24(25)26/h1-11H,12H2/b21-11-
InChIKeyYKMWMQLDZNVGMY-NHDPSOOVSA-N
XLogP5.18
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.86
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dichlorophenyl)methoxy]-1-[6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanimine
CID 155269219
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 139191662
(E)-1-[8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[1-[(4-nitrophenyl)methyl]triazol-4-yl]methoxy]methanimine
CID 71625820
4-chloro-N-[(E)-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
CID 162661101
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
CID 7705187
6-[4-(hydroxymethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 155635628
N-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylmethanimine
CID 2803585
[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] 3,4-dichlorobenzoate
CID 1473296
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
6-(4-chlorophenyl)-5-diethoxyphosphorylimidazo[2,1-b][1,3]thiazole
CID 132516195

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine (CID 6267892) is (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine is O=[N+]([O-])c1ccc(CO/N=C\c2c(-c3ccc(Cl)cc3)nc3sccn23)cc1.
What is the InChIKey of (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine?
The InChIKey is YKMWMQLDZNVGMY-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H13ClN4O3S/c20-15-5-3-14(4-6-15)18-17(23-9-10-28-19(23)22-18)11-21-27-12-13-1-7-16(8-2-13)24(25)26/h1-11H,12H2/b21-11-.
What are the key properties of (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine?
(Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine has a molecular weight of 412.86 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-[(4-nitrophenyl)methoxy]methanimine is sourced from PubChem (CID 6267892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).