N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide

C22H18N4OS2 — CID 11200925

IUPACN'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(Oc2ccc(/N=C(\N)c3cccs3)cc2)cc1)c1cccs1
InChIInChI=1S/C22H18N4OS2/c23-21(19-3-1-13-28-19)25-15-5-9-17(10-6-15)27-18-11-7-16(8-12-18)26-22(24)20-4-2-14-29-20/h1-14H,(H2,23,25)(H2,24,26)
InChIKeyDHBMAGJSUZOVMY-UHFFFAOYSA-N
MW418.55 g/mol
LogP5.68
Rot. Bonds6

About N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide

N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide (PubChem CID 11200925) has the molecular formula C22H18N4OS2 and a molecular weight of 418.55 g/mol. Its IUPAC name is N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
PubChem CID11200925
Molecular FormulaC22H18N4OS2
Molecular Weight418.55 g/mol
Exact Mass418.09
IUPAC NameN'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(Oc2ccc(/N=C(\N)c3cccs3)cc2)cc1)c1cccs1
InChIInChI=1S/C22H18N4OS2/c23-21(19-3-1-13-28-19)25-15-5-9-17(10-6-15)27-18-11-7-16(8-12-18)26-22(24)20-4-2-14-29-20/h1-14H,(H2,23,25)(H2,24,26)
InChIKeyDHBMAGJSUZOVMY-UHFFFAOYSA-N
XLogP5.68
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.55
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide (CID 11200925) is N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(Oc2ccc(/N=C(\N)c3cccs3)cc2)cc1)c1cccs1.
What is the InChIKey of N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide?
The InChIKey is DHBMAGJSUZOVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS2/c23-21(19-3-1-13-28-19)25-15-5-9-17(10-6-15)27-18-11-7-16(8-12-18)26-22(24)20-4-2-14-29-20/h1-14H,(H2,23,25)(H2,24,26).
What are the key properties of N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide?
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide has a molecular weight of 418.55 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 11200925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).