5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide

C18H18N2O3S2 — CID 155515500

IUPAC5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)s2)s1
InChIInChI=1S/C18H18N2O3S2/c1-21-11-8-10(9-12(22-2)17(11)23-3)13-4-5-14(24-13)15-6-7-16(25-15)18(19)20/h4-9H,1-3H3,(H3,19,20)
InChIKeyNINVANNCPHSLNN-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.45
Rot. Bonds6

About 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide

5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide (PubChem CID 155515500) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
PubChem CID155515500
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC Name5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)s2)s1
InChIInChI=1S/C18H18N2O3S2/c1-21-11-8-10(9-12(22-2)17(11)23-3)13-4-5-14(24-13)15-6-7-16(25-15)18(19)20/h4-9H,1-3H3,(H3,19,20)
InChIKeyNINVANNCPHSLNN-UHFFFAOYSA-N
XLogP4.45
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The IUPAC name of 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide (CID 155515500) is 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide.
What is the SMILES notation for 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The canonical SMILES for 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)s2)s1.
What is the InChIKey of 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
The InChIKey is NINVANNCPHSLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-21-11-8-10(9-12(22-2)17(11)23-3)13-4-5-14(24-13)15-6-7-16(25-15)18(19)20/h4-9H,1-3H3,(H3,19,20).
What are the key properties of 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide?
5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide has a molecular weight of 374.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 155515500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).