N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide

C10H14N2S — CID 121386678

IUPACN'-[(E)-pent-1-enyl]thiophene-3-carboximidamide
SMILESCCC/C=C/N=C(\N)c1ccsc1
InChIInChI=1S/C10H14N2S/c1-2-3-4-6-12-10(11)9-5-7-13-8-9/h4-8H,2-3H2,1H3,(H2,11,12)/b6-4+
InChIKeyJYMFUYXHKPICTI-GQCTYLIASA-N
MW194.30 g/mol
LogP2.77
Rot. Bonds4

About N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide

N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide (PubChem CID 121386678) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-[(E)-pent-1-enyl]thiophene-3-carboximidamide
PubChem CID121386678
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN'-[(E)-pent-1-enyl]thiophene-3-carboximidamide
SMILESCCC/C=C/N=C(\N)c1ccsc1
InChIInChI=1S/C10H14N2S/c1-2-3-4-6-12-10(11)9-5-7-13-8-9/h4-8H,2-3H2,1H3,(H2,11,12)/b6-4+
InChIKeyJYMFUYXHKPICTI-GQCTYLIASA-N
XLogP2.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.77
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'-[(E)-pent-1-enyl]thiophene-3-carboximidamide?
The IUPAC name of N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide (CID 121386678) is N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide.
What is the SMILES notation for N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide?
The canonical SMILES for N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide is CCC/C=C/N=C(\N)c1ccsc1.
What is the InChIKey of N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide?
The InChIKey is JYMFUYXHKPICTI-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14N2S/c1-2-3-4-6-12-10(11)9-5-7-13-8-9/h4-8H,2-3H2,1H3,(H2,11,12)/b6-4+.
What are the key properties of N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide?
N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide has a molecular weight of 194.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-pent-1-enyl]thiophene-3-carboximidamide is sourced from PubChem (CID 121386678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).