(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine

C10H5Cl2N3O2S — CID 122714101

IUPAC(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1cnc(N=Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H5Cl2N3O2S/c11-7-2-1-3-8(12)6(7)4-13-10-14-5-9(18-10)15(16)17/h1-5H
InChIKeyVVNMIJUOMLOTFT-UHFFFAOYSA-N
MW302.14 g/mol
LogP4.11
Rot. Bonds3

About (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine

(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine (PubChem CID 122714101) has the molecular formula C10H5Cl2N3O2S and a molecular weight of 302.14 g/mol. Its IUPAC name is (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
PubChem CID122714101
Molecular FormulaC10H5Cl2N3O2S
Molecular Weight302.14 g/mol
Exact Mass300.95
IUPAC Name(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine
SMILESO=[N+]([O-])c1cnc(N=Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H5Cl2N3O2S/c11-7-2-1-3-8(12)6(7)4-13-10-14-5-9(18-10)15(16)17/h1-5H
InChIKeyVVNMIJUOMLOTFT-UHFFFAOYSA-N
XLogP4.11
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The IUPAC name of (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine (CID 122714101) is (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine.
What is the SMILES notation for (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The canonical SMILES for (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine is O=[N+]([O-])c1cnc(N=Cc2c(Cl)cccc2Cl)s1.
What is the InChIKey of (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
The InChIKey is VVNMIJUOMLOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O2S/c11-7-2-1-3-8(12)6(7)4-13-10-14-5-9(18-10)15(16)17/h1-5H.
What are the key properties of (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine?
(Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine has a molecular weight of 302.14 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-dichlorophenyl)-N-(5-nitro-1,3-thiazol-2-yl)methanimine is sourced from PubChem (CID 122714101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).