5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide

C16H13FN4S2 — CID 163360794

IUPAC5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])c(F)c3)s2)s1
InChIInChI=1S/C16H13FN4S2/c17-10-7-8(1-2-9(10)15(18)19)11-3-4-12(22-11)13-5-6-14(23-13)16(20)21/h1-7H,(H3,18,19)(H3,20,21)
InChIKeyNLTWQHOALNINSE-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.85
Rot. Bonds4

About 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide

5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide (PubChem CID 163360794) has the molecular formula C16H13FN4S2 and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide
PubChem CID163360794
Molecular FormulaC16H13FN4S2
Molecular Weight344.44 g/mol
Exact Mass344.06
IUPAC Name5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])c(F)c3)s2)s1
InChIInChI=1S/C16H13FN4S2/c17-10-7-8(1-2-9(10)15(18)19)11-3-4-12(22-11)13-5-6-14(23-13)16(20)21/h1-7H,(H3,18,19)(H3,20,21)
InChIKeyNLTWQHOALNINSE-UHFFFAOYSA-N
XLogP3.85
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.85
H-Bond Donors ≤ 54
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

4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide
CID 171526804
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909
5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 155515500
5-fluorothiophene-2-carboximidamide
CID 55285122
4-[5-[5-(4-chlorophenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 164946289
2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
CID 143262003
5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide
CID 156529024
2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
2-fluoro-4-(1-methylsulfanylethyl)benzenecarboximidamide
CID 174363276
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
2-amino-4-fluorobenzenecarboximidamide
CID 140514748

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The IUPAC name of 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide (CID 163360794) is 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide.
What is the SMILES notation for 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The canonical SMILES for 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])c(F)c3)s2)s1.
What is the InChIKey of 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The InChIKey is NLTWQHOALNINSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4S2/c17-10-7-8(1-2-9(10)15(18)19)11-3-4-12(22-11)13-5-6-14(23-13)16(20)21/h1-7H,(H3,18,19)(H3,20,21).
What are the key properties of 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide?
5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide has a molecular weight of 344.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 163360794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).