5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide

C18H14N4O2S2 — CID 156529024

IUPAC5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])s4)o3)o2)s1
InChIInChI=1S/C18H14N4O2S2/c19-17(20)15-7-5-13(25-15)11-3-1-9(23-11)10-2-4-12(24-10)14-6-8-16(26-14)18(21)22/h1-8H,(H3,19,20)(H3,21,22)
InChIKeyCSTMKJJSYUPTCJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.56
Rot. Bonds5

About 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide

5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide (PubChem CID 156529024) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide
PubChem CID156529024
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])s4)o3)o2)s1
InChIInChI=1S/C18H14N4O2S2/c19-17(20)15-7-5-13(25-15)11-3-1-9(23-11)10-2-4-12(24-10)14-6-8-16(26-14)18(21)22/h1-8H,(H3,19,20)(H3,21,22)
InChIKeyCSTMKJJSYUPTCJ-UHFFFAOYSA-N
XLogP4.56
TPSA126.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.56
H-Bond Donors ≤ 54
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-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide?
The IUPAC name of 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide (CID 156529024) is 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide.
What is the SMILES notation for 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide?
The canonical SMILES for 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(-c4ccc(/C(N)=N/[H])s4)o3)o2)s1.
What is the InChIKey of 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide?
The InChIKey is CSTMKJJSYUPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c19-17(20)15-7-5-13(25-15)11-3-1-9(23-11)10-2-4-12(24-10)14-6-8-16(26-14)18(21)22/h1-8H,(H3,19,20)(H3,21,22).
What are the key properties of 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide?
5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide has a molecular weight of 382.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 156529024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).