(E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium

C8H11N4S+ — CID 20835095

IUPAC(E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium
SMILESC/C(c1ccccn1)=[N+](\N)C(N)=S
InChIInChI=1S/C8H10N4S/c1-6(12(10)8(9)13)7-4-2-3-5-11-7/h2-5H,1H3,(H3-,9,10,11,13)/p+1
InChIKeyMLPKDOAHEIAPBF-UHFFFAOYSA-O
MW195.27 g/mol
LogP0.02
Rot. Bonds1

About (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium

(E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium (PubChem CID 20835095) has the molecular formula C8H11N4S+ and a molecular weight of 195.27 g/mol. Its IUPAC name is (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium.

Molecular Properties

Compound Name(E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium
PubChem CID20835095
Molecular FormulaC8H11N4S+
Molecular Weight195.27 g/mol
Exact Mass195.07
IUPAC Name(E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium
SMILESC/C(c1ccccn1)=[N+](\N)C(N)=S
InChIInChI=1S/C8H10N4S/c1-6(12(10)8(9)13)7-4-2-3-5-11-7/h2-5H,1H3,(H3-,9,10,11,13)/p+1
InChIKeyMLPKDOAHEIAPBF-UHFFFAOYSA-O
XLogP0.02
TPSA67.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.02
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyridin-2-ylethanethione
CID 89010255
pyridine-2-carbothioamide;hydrochloride
CID 57440257
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
1-methyl-1-(1-pyridin-2-ylethylideneamino)thiourea
CID 71346320
acetyl bromide;pyridine-2-carboxamide
CID 175817538
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
[(E)-1-pyridin-2-ylethylideneamino]methylthiourea
CID 145130202
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
N'-aminopyridine-2-carboximidamide
CID 5464234

Frequently Asked Questions

What is the IUPAC name of (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium?
The IUPAC name of (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium (CID 20835095) is (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium.
What is the SMILES notation for (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium?
The canonical SMILES for (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium is C/C(c1ccccn1)=[N+](\N)C(N)=S.
What is the InChIKey of (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium?
The InChIKey is MLPKDOAHEIAPBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N4S/c1-6(12(10)8(9)13)7-4-2-3-5-11-7/h2-5H,1H3,(H3-,9,10,11,13)/p+1.
What are the key properties of (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium?
(E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium has a molecular weight of 195.27 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-amino-carbamothioyl-(1-pyridin-2-ylethylidene)azanium is sourced from PubChem (CID 20835095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).