N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide

C24H22N4S2 — CID 72725795

IUPACN'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1cccc(CCc2cccc(/N=C(\N)c3cccs3)c2)c1)c1cccs1
InChIInChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
InChIKeyMNMWXAHXXVXJBB-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.67
Rot. Bonds7

About N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide

N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide (PubChem CID 72725795) has the molecular formula C24H22N4S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide
PubChem CID72725795
Molecular FormulaC24H22N4S2
Molecular Weight430.60 g/mol
Exact Mass430.13
IUPAC NameN'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1cccc(CCc2cccc(/N=C(\N)c3cccs3)c2)c1)c1cccs1
InChIInChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
InChIKeyMNMWXAHXXVXJBB-UHFFFAOYSA-N
XLogP5.67
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide (CID 72725795) is N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide is N/C(=N\c1cccc(CCc2cccc(/N=C(\N)c3cccs3)c2)c1)c1cccs1.
What is the InChIKey of N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide?
The InChIKey is MNMWXAHXXVXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28).
What are the key properties of N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide?
N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide has a molecular weight of 430.60 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-[3-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 72725795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).