3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide

C18H16N4S — CID 11749718

IUPAC3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)s2)c1
InChIInChI=1S/C18H16N4S/c19-17(20)13-5-1-3-11(9-13)15-7-8-16(23-15)12-4-2-6-14(10-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
InChIKeyXRHRURGSELDAOM-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.65
Rot. Bonds4

About 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide

3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide (PubChem CID 11749718) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
PubChem CID11749718
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)s2)c1
InChIInChI=1S/C18H16N4S/c19-17(20)13-5-1-3-11(9-13)15-7-8-16(23-15)12-4-2-6-14(10-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
InChIKeyXRHRURGSELDAOM-UHFFFAOYSA-N
XLogP3.65
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.65
H-Bond Donors ≤ 54
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

1-Benzothiophene-2-carboximidamide
CID 444754
4-Phenyl-benzo[b]thiophene-2-carboxamidine
CID 15230353
Benzo[B]Thiophene-2-Carboxamidine
CID 444753
2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine
CID 145768
4-[5-(4-Carbamimidoylphenyl)-2-thienyl]benzamidine
CID 439130
5-Methylsulfanyl-4-phenyl-thiophene-2-carboxamidine
CID 9881397
4-(Biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21057162
5-[5-(4-Carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride
CID 53319402
4-[5-(4-Fluorophenyl)thiophen-2-yl]benzenecarboximidamide
CID 137643263
4-[5-(4-Chlorophenyl)thiophen-2-yl]benzenecarboximidamide
CID 137654286
Acetic acid;4-(5-phenylthiophen-2-yl)benzenecarboximidamide
CID 145969476
5-(5-Phenylthiophen-2-yl)thiophene-2-carboximidamide
CID 155528737

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
The IUPAC name of 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide (CID 11749718) is 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide.
What is the SMILES notation for 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
The canonical SMILES for 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2ccc(-c3cccc(/C(N)=N/[H])c3)s2)c1.
What is the InChIKey of 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
The InChIKey is XRHRURGSELDAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c19-17(20)13-5-1-3-11(9-13)15-7-8-16(23-15)12-4-2-6-14(10-12)18(21)22/h1-10H,(H3,19,20)(H3,21,22).
What are the key properties of 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide has a molecular weight of 320.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide is sourced from PubChem (CID 11749718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).