5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride

C16H15ClN4S2 — CID 53319402

IUPAC5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])s3)s2)cc1
InChIInChI=1S/C16H14N4S2.ClH/c17-15(18)10-3-1-9(2-4-10)11-5-6-12(21-11)13-7-8-14(22-13)16(19)20;/h1-8H,(H3,17,18)(H3,19,20);1H
InChIKeyYNQNZFWRSVUYKD-UHFFFAOYSA-N
MW362.91 g/mol
LogP4.13
Rot. Bonds4

About 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride

5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride (PubChem CID 53319402) has the molecular formula C16H15ClN4S2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride
PubChem CID53319402
Molecular FormulaC16H15ClN4S2
Molecular Weight362.91 g/mol
Exact Mass362.04
IUPAC Name5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])s3)s2)cc1
InChIInChI=1S/C16H14N4S2.ClH/c17-15(18)10-3-1-9(2-4-10)11-5-6-12(21-11)13-7-8-14(22-13)16(19)20;/h1-8H,(H3,17,18)(H3,19,20);1H
InChIKeyYNQNZFWRSVUYKD-UHFFFAOYSA-N
XLogP4.13
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride?
The IUPAC name of 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride (CID 53319402) is 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])s3)s2)cc1.
What is the InChIKey of 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride?
The InChIKey is YNQNZFWRSVUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S2.ClH/c17-15(18)10-3-1-9(2-4-10)11-5-6-12(21-11)13-7-8-14(22-13)16(19)20;/h1-8H,(H3,17,18)(H3,19,20);1H.
What are the key properties of 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride?
5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 53319402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).