N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline

C10H10N4O2S — CID 177397490

IUPACN-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline
SMILESO=[N+]([O-])/C(=N\Nc1ccccc1)C1=NCCS1
InChIInChI=1S/C10H10N4O2S/c15-14(16)9(10-11-6-7-17-10)13-12-8-4-2-1-3-5-8/h1-5,12H,6-7H2/b13-9-
InChIKeyNMORJVLTTPVZGS-LCYFTJDESA-N
MW250.28 g/mol
LogP1.83
Rot. Bonds3

About N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline

N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline (PubChem CID 177397490) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline
PubChem CID177397490
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC NameN-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline
SMILESO=[N+]([O-])/C(=N\Nc1ccccc1)C1=NCCS1
InChIInChI=1S/C10H10N4O2S/c15-14(16)9(10-11-6-7-17-10)13-12-8-4-2-1-3-5-8/h1-5,12H,6-7H2/b13-9-
InChIKeyNMORJVLTTPVZGS-LCYFTJDESA-N
XLogP1.83
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline?
The IUPAC name of N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline (CID 177397490) is N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline is O=[N+]([O-])/C(=N\Nc1ccccc1)C1=NCCS1.
What is the InChIKey of N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline?
The InChIKey is NMORJVLTTPVZGS-LCYFTJDESA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-14(16)9(10-11-6-7-17-10)13-12-8-4-2-1-3-5-8/h1-5,12H,6-7H2/b13-9-.
What are the key properties of N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline?
N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline has a molecular weight of 250.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4,5-dihydro-1,3-thiazol-2-yl(nitro)methylidene]amino]aniline is sourced from PubChem (CID 177397490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).