5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide

C16H14N2OS2 — CID 155542367

IUPAC5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(OC)cc3)s2)s1
InChIInChI=1S/C16H14N2OS2/c1-19-11-4-2-10(3-5-11)12-6-7-13(20-12)14-8-9-15(21-14)16(17)18/h2-9H,1H3,(H3,17,18)
InChIKeyJTDLPMKUDNXSPW-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.44
Rot. Bonds4

About 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide

5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide (PubChem CID 155542367) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
PubChem CID155542367
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(OC)cc3)s2)s1
InChIInChI=1S/C16H14N2OS2/c1-19-11-4-2-10(3-5-11)12-6-7-13(20-12)14-8-9-15(21-14)16(17)18/h2-9H,1H3,(H3,17,18)
InChIKeyJTDLPMKUDNXSPW-UHFFFAOYSA-N
XLogP4.44
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
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-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The IUPAC name of 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide (CID 155542367) is 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide.
What is the SMILES notation for 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The canonical SMILES for 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(OC)cc3)s2)s1.
What is the InChIKey of 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The InChIKey is JTDLPMKUDNXSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-19-11-4-2-10(3-5-11)12-6-7-13(20-12)14-8-9-15(21-14)16(17)18/h2-9H,1H3,(H3,17,18).
What are the key properties of 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide has a molecular weight of 314.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 155542367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).