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

C16H14N4S2 — CID 54405425

IUPACN'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(/N=C(\N)c2cccs2)cc1)c1cccs1
InChIInChI=1S/C16H14N4S2/c17-15(13-3-1-9-21-13)19-11-5-7-12(8-6-11)20-16(18)14-4-2-10-22-14/h1-10H,(H2,17,19)(H2,18,20)
InChIKeyVQIQOTOYJRRRQY-UHFFFAOYSA-N
MW326.45 g/mol
LogP3.88
Rot. Bonds4

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

N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide (PubChem CID 54405425) has the molecular formula C16H14N4S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
PubChem CID54405425
Molecular FormulaC16H14N4S2
Molecular Weight326.45 g/mol
Exact Mass326.07
IUPAC NameN'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc(/N=C(\N)c2cccs2)cc1)c1cccs1
InChIInChI=1S/C16H14N4S2/c17-15(13-3-1-9-21-13)19-11-5-7-12(8-6-11)20-16(18)14-4-2-10-22-14/h1-10H,(H2,17,19)(H2,18,20)
InChIKeyVQIQOTOYJRRRQY-UHFFFAOYSA-N
XLogP3.88
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.88
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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Related Compounds

N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
CID 142085142
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
CID 19353808
N'-(2-amino-2,3-dihydro-1H-inden-5-yl)thiophene-2-carboximidamide
CID 15871446
2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 154489738
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
CID 22225903
N'-[4-[2-(pyrimidin-2-ylamino)ethyl]phenyl]thiophene-2-carboximidamide
CID 18976244
3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,1-diphenylurea
CID 19353824
2-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide;hydrochloride
CID 142649841
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]benzamide
CID 19353828
N'-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenyl]thiophene-2-carboximidamide
CID 71718237

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide (CID 54405425) is N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide is N/C(=N\c1ccc(/N=C(\N)c2cccs2)cc1)c1cccs1.
What is the InChIKey of N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide?
The InChIKey is VQIQOTOYJRRRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S2/c17-15(13-3-1-9-21-13)19-11-5-7-12(8-6-11)20-16(18)14-4-2-10-22-14/h1-10H,(H2,17,19)(H2,18,20).
What are the key properties of N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide?
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide has a molecular weight of 326.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 54405425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).