(pyridine-4-carbonylamino)thiourea

C7H8N4OS — CID 3000601

IUPAC(pyridine-4-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1ccncc1
InChIInChI=1S/C7H8N4OS/c8-7(13)11-10-6(12)5-1-3-9-4-2-5/h1-4H,(H,10,12)(H3,8,11,13)
InChIKeyVXVGIABASNIWKS-UHFFFAOYSA-N
MW196.24 g/mol
LogP-0.44
Rot. Bonds1

About (pyridine-4-carbonylamino)thiourea

(pyridine-4-carbonylamino)thiourea (PubChem CID 3000601) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is (pyridine-4-carbonylamino)thiourea.

Molecular Properties

Compound Name(pyridine-4-carbonylamino)thiourea
PubChem CID3000601
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name(pyridine-4-carbonylamino)thiourea
SMILESNC(=S)NNC(=O)c1ccncc1
InChIInChI=1S/C7H8N4OS/c8-7(13)11-10-6(12)5-1-3-9-4-2-5/h1-4H,(H,10,12)(H3,8,11,13)
InChIKeyVXVGIABASNIWKS-UHFFFAOYSA-N
XLogP-0.44
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.44
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-4-carbonylamino)thiourea?
The IUPAC name of (pyridine-4-carbonylamino)thiourea (CID 3000601) is (pyridine-4-carbonylamino)thiourea.
What is the SMILES notation for (pyridine-4-carbonylamino)thiourea?
The canonical SMILES for (pyridine-4-carbonylamino)thiourea is NC(=S)NNC(=O)c1ccncc1.
What is the InChIKey of (pyridine-4-carbonylamino)thiourea?
The InChIKey is VXVGIABASNIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-7(13)11-10-6(12)5-1-3-9-4-2-5/h1-4H,(H,10,12)(H3,8,11,13).
What are the key properties of (pyridine-4-carbonylamino)thiourea?
(pyridine-4-carbonylamino)thiourea has a molecular weight of 196.24 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pyridine-4-carbonylamino)thiourea is sourced from PubChem (CID 3000601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).