N'-cyanothiophene-3-carboximidamide

C6H5N3S — CID 12667603

IUPACN'-cyanothiophene-3-carboximidamide
SMILESN#C/N=C(\N)c1ccsc1
InChIInChI=1S/C6H5N3S/c7-4-9-6(8)5-1-2-10-3-5/h1-3H,(H2,8,9)
InChIKeyXYFRANUTWLNTDZ-UHFFFAOYSA-N
MW151.19 g/mol
LogP0.93
Rot. Bonds1

About N'-cyanothiophene-3-carboximidamide

N'-cyanothiophene-3-carboximidamide (PubChem CID 12667603) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is N'-cyanothiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-cyanothiophene-3-carboximidamide
PubChem CID12667603
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC NameN'-cyanothiophene-3-carboximidamide
SMILESN#C/N=C(\N)c1ccsc1
InChIInChI=1S/C6H5N3S/c7-4-9-6(8)5-1-2-10-3-5/h1-3H,(H2,8,9)
InChIKeyXYFRANUTWLNTDZ-UHFFFAOYSA-N
XLogP0.93
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-Hydroxythiophene-3-carboximidamide
CID 9580388
Thiophene-3-carboximidamide
CID 2779693
Thiophene-3-carboxamidine hydrochloride
CID 2779692
[Azanyl(thiophen-3-yl)methylidene]azanium
CID 6932604
N'-hydroxythiophene-3-carboximidamide
CID 2737294
(E)-N'-hydroxythiophene-3-carboximidamide
CID 5702877
N'-propylthiophene-3-carboximidamide
CID 62049963
5-Thiophen-3-yl-1,2,4-triazole-3-thione
CID 18708607
5-Thiophen-3-yl-1,2-dihydro-1,2,4-triazole-3-thione
CID 18935423
N'-chlorothiophene-3-carboximidamide
CID 53732544
1-(3-Thienylmethyl)guanidine
CID 62405688
N-tert-butylthiophene-3-carboximidamide
CID 63181887

Frequently Asked Questions

What is the IUPAC name of N'-cyanothiophene-3-carboximidamide?
The IUPAC name of N'-cyanothiophene-3-carboximidamide (CID 12667603) is N'-cyanothiophene-3-carboximidamide.
What is the SMILES notation for N'-cyanothiophene-3-carboximidamide?
The canonical SMILES for N'-cyanothiophene-3-carboximidamide is N#C/N=C(\N)c1ccsc1.
What is the InChIKey of N'-cyanothiophene-3-carboximidamide?
The InChIKey is XYFRANUTWLNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c7-4-9-6(8)5-1-2-10-3-5/h1-3H,(H2,8,9).
What are the key properties of N'-cyanothiophene-3-carboximidamide?
N'-cyanothiophene-3-carboximidamide has a molecular weight of 151.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanothiophene-3-carboximidamide is sourced from PubChem (CID 12667603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).