N'-tert-butylthiophene-3-carboximidamide

C9H14N2S — CID 63181887

IUPACN'-tert-butylthiophene-3-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1ccsc1
InChIInChI=1S/C9H14N2S/c1-9(2,3)11-8(10)7-4-5-12-6-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyOGEYEPXAAKHACN-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.25
Rot. Bonds1

About N'-tert-butylthiophene-3-carboximidamide

N'-tert-butylthiophene-3-carboximidamide (PubChem CID 63181887) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N'-tert-butylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-tert-butylthiophene-3-carboximidamide
PubChem CID63181887
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN'-tert-butylthiophene-3-carboximidamide
SMILESCC(C)(C)/N=C(\N)c1ccsc1
InChIInChI=1S/C9H14N2S/c1-9(2,3)11-8(10)7-4-5-12-6-7/h4-6H,1-3H3,(H2,10,11)
InChIKeyOGEYEPXAAKHACN-UHFFFAOYSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-tert-butylthiophene-3-carboximidamide?
The IUPAC name of N'-tert-butylthiophene-3-carboximidamide (CID 63181887) is N'-tert-butylthiophene-3-carboximidamide.
What is the SMILES notation for N'-tert-butylthiophene-3-carboximidamide?
The canonical SMILES for N'-tert-butylthiophene-3-carboximidamide is CC(C)(C)/N=C(\N)c1ccsc1.
What is the InChIKey of N'-tert-butylthiophene-3-carboximidamide?
The InChIKey is OGEYEPXAAKHACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-9(2,3)11-8(10)7-4-5-12-6-7/h4-6H,1-3H3,(H2,10,11).
What are the key properties of N'-tert-butylthiophene-3-carboximidamide?
N'-tert-butylthiophene-3-carboximidamide has a molecular weight of 182.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylthiophene-3-carboximidamide is sourced from PubChem (CID 63181887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).