(Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine

C10H7N3O2S — CID 122714104

IUPAC(Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine
SMILESO=[N+]([O-])c1cnc(/N=C\c2ccccc2)s1
InChIInChI=1S/C10H7N3O2S/c14-13(15)9-7-12-10(16-9)11-6-8-4-2-1-3-5-8/h1-7H/b11-6-
InChIKeyNOLDVVOSRFSHRX-WDZFZDKYSA-N
MW233.25 g/mol
LogP2.80
Rot. Bonds3

About (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine

(Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine (PubChem CID 122714104) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine
PubChem CID122714104
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name(Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine
SMILESO=[N+]([O-])c1cnc(/N=C\c2ccccc2)s1
InChIInChI=1S/C10H7N3O2S/c14-13(15)9-7-12-10(16-9)11-6-8-4-2-1-3-5-8/h1-7H/b11-6-
InChIKeyNOLDVVOSRFSHRX-WDZFZDKYSA-N
XLogP2.80
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.80
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)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine?
The IUPAC name of (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine (CID 122714104) is (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine?
The canonical SMILES for (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine is O=[N+]([O-])c1cnc(/N=C\c2ccccc2)s1.
What is the InChIKey of (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine?
The InChIKey is NOLDVVOSRFSHRX-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H7N3O2S/c14-13(15)9-7-12-10(16-9)11-6-8-4-2-1-3-5-8/h1-7H/b11-6-.
What are the key properties of (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine?
(Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine has a molecular weight of 233.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-nitro-1,3-thiazol-2-yl)-1-phenylmethanimine is sourced from PubChem (CID 122714104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).