4-(4-phenylanilino)thiophene-2-carboximidamide

C17H15N3S — CID 141025794

IUPAC4-(4-phenylanilino)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Nc2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C17H15N3S/c18-17(19)16-10-15(11-21-16)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,20H,(H3,18,19)
InChIKeyIJUXGHYMGUKMRZ-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.44
Rot. Bonds4

About 4-(4-phenylanilino)thiophene-2-carboximidamide

4-(4-phenylanilino)thiophene-2-carboximidamide (PubChem CID 141025794) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-(4-phenylanilino)thiophene-2-carboximidamide.

Molecular Properties

Compound Name4-(4-phenylanilino)thiophene-2-carboximidamide
PubChem CID141025794
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name4-(4-phenylanilino)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(Nc2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C17H15N3S/c18-17(19)16-10-15(11-21-16)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,20H,(H3,18,19)
InChIKeyIJUXGHYMGUKMRZ-UHFFFAOYSA-N
XLogP4.44
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

3,4-dianilinobenzenecarboximidamide
CID 142296312
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
2-ethoxy-5-phenylbenzenecarboximidamide
CID 83969112
2-amino-5-(5-anilino-3-pyridinyl)benzenecarboximidamide
CID 166907910
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
5-methylsulfanyl-4-(5-phenyl-2-pyridinyl)thiophene-2-carboximidamide
CID 18536929
4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methylsulfanyl]thiophene-2-carboximidamide
CID 57083497
4-[2,6-difluoro-4-(4-phenylanilino)phenyl]-3,5-difluoro-N-(4-phenylphenyl)aniline
CID 143060533
N,6-diphenylnaphthalen-2-amine
CID 67205043
benzenecarboximidamide;sulfane
CID 172701796

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylanilino)thiophene-2-carboximidamide?
The IUPAC name of 4-(4-phenylanilino)thiophene-2-carboximidamide (CID 141025794) is 4-(4-phenylanilino)thiophene-2-carboximidamide.
What is the SMILES notation for 4-(4-phenylanilino)thiophene-2-carboximidamide?
The canonical SMILES for 4-(4-phenylanilino)thiophene-2-carboximidamide is [H]/N=C(\N)c1cc(Nc2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 4-(4-phenylanilino)thiophene-2-carboximidamide?
The InChIKey is IJUXGHYMGUKMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c18-17(19)16-10-15(11-21-16)20-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,20H,(H3,18,19).
What are the key properties of 4-(4-phenylanilino)thiophene-2-carboximidamide?
4-(4-phenylanilino)thiophene-2-carboximidamide has a molecular weight of 293.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylanilino)thiophene-2-carboximidamide is sourced from PubChem (CID 141025794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).