N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide

C8H12IN3S — CID 79684246

IUPACN-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide
SMILESCC(C)/N=C(/NN)c1csc(I)c1
InChIInChI=1S/C8H12IN3S/c1-5(2)11-8(12-10)6-3-7(9)13-4-6/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyAAVYZJUFMKBEPU-UHFFFAOYSA-N
MW309.18 g/mol
LogP1.97
Rot. Bonds2

About N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide

N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide (PubChem CID 79684246) has the molecular formula C8H12IN3S and a molecular weight of 309.18 g/mol. Its IUPAC name is N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide
PubChem CID79684246
Molecular FormulaC8H12IN3S
Molecular Weight309.18 g/mol
Exact Mass308.98
IUPAC NameN-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide
SMILESCC(C)/N=C(/NN)c1csc(I)c1
InChIInChI=1S/C8H12IN3S/c1-5(2)11-8(12-10)6-3-7(9)13-4-6/h3-5H,10H2,1-2H3,(H,11,12)
InChIKeyAAVYZJUFMKBEPU-UHFFFAOYSA-N
XLogP1.97
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'iodine', '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-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide?
The IUPAC name of N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide (CID 79684246) is N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide is CC(C)/N=C(/NN)c1csc(I)c1.
What is the InChIKey of N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide?
The InChIKey is AAVYZJUFMKBEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3S/c1-5(2)11-8(12-10)6-3-7(9)13-4-6/h3-5H,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide?
N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide has a molecular weight of 309.18 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-5-iodo-N'-propan-2-ylthiophene-3-carboximidamide is sourced from PubChem (CID 79684246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).