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

C18H16N4S — CID 19362129

IUPAC2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(-c2ccccc2/C(N)=N/[H])s1
InChIInChI=1S/C18H16N4S/c19-17(20)13-7-3-1-5-11(13)15-9-10-16(23-15)12-6-2-4-8-14(12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
InChIKeyCSCKENIBLOVTIK-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.65
Rot. Bonds4

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

2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide (PubChem CID 19362129) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
PubChem CID19362129
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(-c2ccccc2/C(N)=N/[H])s1
InChIInChI=1S/C18H16N4S/c19-17(20)13-7-3-1-5-11(13)15-9-10-16(23-15)12-6-2-4-8-14(12)18(21)22/h1-10H,(H3,19,20)(H3,21,22)
InChIKeyCSCKENIBLOVTIK-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'}

Analyze 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-formylphenyl)benzenecarboximidamide
CID 89125419
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
9,10-dioxoanthracene-2,3-dicarboximidamide
CID 152601753
2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
CID 163938469
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
CID 6345491
2-phenyldiazenylbenzenecarboximidamide
CID 154141709
biphenylene-1,8-dicarboximidamide
CID 71696896
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide
CID 24704653
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
The IUPAC name of 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide (CID 19362129) is 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide.
What is the SMILES notation for 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
The canonical SMILES for 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1-c1ccc(-c2ccccc2/C(N)=N/[H])s1.
What is the InChIKey of 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
The InChIKey is CSCKENIBLOVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c19-17(20)13-7-3-1-5-11(13)15-9-10-16(23-15)12-6-2-4-8-14(12)18(21)22/h1-10H,(H3,19,20)(H3,21,22).
What are the key properties of 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide?
2-[5-(2-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 2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide is sourced from PubChem (CID 19362129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).