N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide

C13H11N3S2 — CID 80745533

IUPACN-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1cc2sccc2s1
InChIInChI=1S/C13H11N3S2/c14-16-13(15-9-4-2-1-3-5-9)12-8-11-10(18-12)6-7-17-11/h1-8H,14H2,(H,15,16)
InChIKeyLDDWSENFSNUZSB-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.50
Rot. Bonds2

About N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide

N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide (PubChem CID 80745533) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide
PubChem CID80745533
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC NameN-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide
SMILESNN/C(=N\c1ccccc1)c1cc2sccc2s1
InChIInChI=1S/C13H11N3S2/c14-16-13(15-9-4-2-1-3-5-9)12-8-11-10(18-12)6-7-17-11/h1-8H,14H2,(H,15,16)
InChIKeyLDDWSENFSNUZSB-UHFFFAOYSA-N
XLogP3.50
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide?
The IUPAC name of N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide (CID 80745533) is N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide.
What is the SMILES notation for N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide?
The canonical SMILES for N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide is NN/C(=N\c1ccccc1)c1cc2sccc2s1.
What is the InChIKey of N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide?
The InChIKey is LDDWSENFSNUZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c14-16-13(15-9-4-2-1-3-5-9)12-8-11-10(18-12)6-7-17-11/h1-8H,14H2,(H,15,16).
What are the key properties of N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide?
N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide has a molecular weight of 273.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-phenylthieno[3,2-b]thiophene-5-carboximidamide is sourced from PubChem (CID 80745533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).