(pyridine-3-carbonylamino)thiourea;hydrochloride

C7H9ClN4OS — CID 3048489

IUPAC(pyridine-3-carbonylamino)thiourea;hydrochloride
SMILESCl.NC(=S)NNC(=O)c1cccnc1
InChIInChI=1S/C7H8N4OS.ClH/c8-7(13)11-10-6(12)5-2-1-3-9-4-5;/h1-4H,(H,10,12)(H3,8,11,13);1H
InChIKeyXWEISJDLEOLOGT-UHFFFAOYSA-N
MW232.70 g/mol
LogP-0.02
Rot. Bonds1

About (pyridine-3-carbonylamino)thiourea;hydrochloride

(pyridine-3-carbonylamino)thiourea;hydrochloride (PubChem CID 3048489) has the molecular formula C7H9ClN4OS and a molecular weight of 232.70 g/mol. Its IUPAC name is (pyridine-3-carbonylamino)thiourea;hydrochloride.

Molecular Properties

Compound Name(pyridine-3-carbonylamino)thiourea;hydrochloride
PubChem CID3048489
Molecular FormulaC7H9ClN4OS
Molecular Weight232.70 g/mol
Exact Mass232.02
IUPAC Name(pyridine-3-carbonylamino)thiourea;hydrochloride
SMILESCl.NC(=S)NNC(=O)c1cccnc1
InChIInChI=1S/C7H8N4OS.ClH/c8-7(13)11-10-6(12)5-2-1-3-9-4-5;/h1-4H,(H,10,12)(H3,8,11,13);1H
InChIKeyXWEISJDLEOLOGT-UHFFFAOYSA-N
XLogP-0.02
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (pyridine-3-carbonylamino)thiourea;hydrochloride?
The IUPAC name of (pyridine-3-carbonylamino)thiourea;hydrochloride (CID 3048489) is (pyridine-3-carbonylamino)thiourea;hydrochloride.
What is the SMILES notation for (pyridine-3-carbonylamino)thiourea;hydrochloride?
The canonical SMILES for (pyridine-3-carbonylamino)thiourea;hydrochloride is Cl.NC(=S)NNC(=O)c1cccnc1.
What is the InChIKey of (pyridine-3-carbonylamino)thiourea;hydrochloride?
The InChIKey is XWEISJDLEOLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS.ClH/c8-7(13)11-10-6(12)5-2-1-3-9-4-5;/h1-4H,(H,10,12)(H3,8,11,13);1H.
What are the key properties of (pyridine-3-carbonylamino)thiourea;hydrochloride?
(pyridine-3-carbonylamino)thiourea;hydrochloride has a molecular weight of 232.70 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pyridine-3-carbonylamino)thiourea;hydrochloride is sourced from PubChem (CID 3048489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).