N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane

C10H19N3S — CID 143679974

IUPACN'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane
SMILESCC.CC(C)c1ccc(/C(N)=N/N)s1
InChIInChI=1S/C8H13N3S.C2H6/c1-5(2)6-3-4-7(12-6)8(9)11-10;1-2/h3-5H,10H2,1-2H3,(H2,9,11);1-2H3
InChIKeyNIGVRUHYEHSXPZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.48
Rot. Bonds2

About N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane

N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane (PubChem CID 143679974) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane.

Molecular Properties

Compound NameN'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane
PubChem CID143679974
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane
SMILESCC.CC(C)c1ccc(/C(N)=N/N)s1
InChIInChI=1S/C8H13N3S.C2H6/c1-5(2)6-3-4-7(12-6)8(9)11-10;1-2/h3-5H,10H2,1-2H3,(H2,9,11);1-2H3
InChIKeyNIGVRUHYEHSXPZ-UHFFFAOYSA-N
XLogP2.48
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.48
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane?
The IUPAC name of N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane (CID 143679974) is N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane.
What is the SMILES notation for N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane?
The canonical SMILES for N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane is CC.CC(C)c1ccc(/C(N)=N/N)s1.
What is the InChIKey of N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane?
The InChIKey is NIGVRUHYEHSXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S.C2H6/c1-5(2)6-3-4-7(12-6)8(9)11-10;1-2/h3-5H,10H2,1-2H3,(H2,9,11);1-2H3.
What are the key properties of N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane?
N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane has a molecular weight of 213.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-5-propan-2-ylthiophene-2-carboximidamide;ethane is sourced from PubChem (CID 143679974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).