N'-propylthiophene-3-carboximidamide

C8H12N2S — CID 62049963

IUPACN'-propylthiophene-3-carboximidamide
SMILESCCC/N=C(\N)c1ccsc1
InChIInChI=1S/C8H12N2S/c1-2-4-10-8(9)7-3-5-11-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10)
InChIKeyNDDRQENMBVPYRY-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.86
Rot. Bonds3

About N'-propylthiophene-3-carboximidamide

N'-propylthiophene-3-carboximidamide (PubChem CID 62049963) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N'-propylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-propylthiophene-3-carboximidamide
PubChem CID62049963
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN'-propylthiophene-3-carboximidamide
SMILESCCC/N=C(\N)c1ccsc1
InChIInChI=1S/C8H12N2S/c1-2-4-10-8(9)7-3-5-11-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10)
InChIKeyNDDRQENMBVPYRY-UHFFFAOYSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.86
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'-propylthiophene-3-carboximidamide?
The IUPAC name of N'-propylthiophene-3-carboximidamide (CID 62049963) is N'-propylthiophene-3-carboximidamide.
What is the SMILES notation for N'-propylthiophene-3-carboximidamide?
The canonical SMILES for N'-propylthiophene-3-carboximidamide is CCC/N=C(\N)c1ccsc1.
What is the InChIKey of N'-propylthiophene-3-carboximidamide?
The InChIKey is NDDRQENMBVPYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-4-10-8(9)7-3-5-11-6-7/h3,5-6H,2,4H2,1H3,(H2,9,10).
What are the key properties of N'-propylthiophene-3-carboximidamide?
N'-propylthiophene-3-carboximidamide has a molecular weight of 168.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylthiophene-3-carboximidamide is sourced from PubChem (CID 62049963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).