(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride

C18H21ClN4S — CID 23459671

IUPAC(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride
SMILESCl.N/C(=N\C(=N\c1ccccc1)N1CCSCC1)c1ccccc1
InChIInChI=1S/C18H20N4S.ClH/c19-17(15-7-3-1-4-8-15)21-18(22-11-13-23-14-12-22)20-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H2,19,20,21);1H
InChIKeyXGGHSMTZEXGXPS-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.55
Rot. Bonds2

About (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride

(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride (PubChem CID 23459671) has the molecular formula C18H21ClN4S and a molecular weight of 360.91 g/mol. Its IUPAC name is (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride
PubChem CID23459671
Molecular FormulaC18H21ClN4S
Molecular Weight360.91 g/mol
Exact Mass360.12
IUPAC Name(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride
SMILESCl.N/C(=N\C(=N\c1ccccc1)N1CCSCC1)c1ccccc1
InChIInChI=1S/C18H20N4S.ClH/c19-17(15-7-3-1-4-8-15)21-18(22-11-13-23-14-12-22)20-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H2,19,20,21);1H
InChIKeyXGGHSMTZEXGXPS-UHFFFAOYSA-N
XLogP3.55
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
CID 23459647
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
CID 23459648
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
CID 70531275
N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide
CID 70599632
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 54284526
N'-aminobenzenecarboximidamide
CID 5474957
N'-[3-[[amino(phenyl)methylidene]amino]phenyl]benzenecarboximidamide
CID 132564984

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride?
The IUPAC name of (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride (CID 23459671) is (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride is Cl.N/C(=N\C(=N\c1ccccc1)N1CCSCC1)c1ccccc1.
What is the InChIKey of (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride?
The InChIKey is XGGHSMTZEXGXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S.ClH/c19-17(15-7-3-1-4-8-15)21-18(22-11-13-23-14-12-22)20-16-9-5-2-6-10-16;/h1-10H,11-14H2,(H2,19,20,21);1H.
What are the key properties of (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride?
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 23459671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).