[methyl(pyridine-4-carbonyl)amino]thiourea

C8H10N4OS — CID 91311342

IUPAC[methyl(pyridine-4-carbonyl)amino]thiourea
SMILESCN(NC(N)=S)C(=O)c1ccncc1
InChIInChI=1S/C8H10N4OS/c1-12(11-8(9)14)7(13)6-2-4-10-5-3-6/h2-5H,1H3,(H3,9,11,14)
InChIKeyAEPZIVMZTARTNL-UHFFFAOYSA-N
MW210.26 g/mol
LogP-0.10
Rot. Bonds1

About [methyl(pyridine-4-carbonyl)amino]thiourea

[methyl(pyridine-4-carbonyl)amino]thiourea (PubChem CID 91311342) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is [methyl(pyridine-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[methyl(pyridine-4-carbonyl)amino]thiourea
PubChem CID91311342
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name[methyl(pyridine-4-carbonyl)amino]thiourea
SMILESCN(NC(N)=S)C(=O)c1ccncc1
InChIInChI=1S/C8H10N4OS/c1-12(11-8(9)14)7(13)6-2-4-10-5-3-6/h2-5H,1H3,(H3,9,11,14)
InChIKeyAEPZIVMZTARTNL-UHFFFAOYSA-N
XLogP-0.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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 [methyl(pyridine-4-carbonyl)amino]thiourea?
The IUPAC name of [methyl(pyridine-4-carbonyl)amino]thiourea (CID 91311342) is [methyl(pyridine-4-carbonyl)amino]thiourea.
What is the SMILES notation for [methyl(pyridine-4-carbonyl)amino]thiourea?
The canonical SMILES for [methyl(pyridine-4-carbonyl)amino]thiourea is CN(NC(N)=S)C(=O)c1ccncc1.
What is the InChIKey of [methyl(pyridine-4-carbonyl)amino]thiourea?
The InChIKey is AEPZIVMZTARTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-12(11-8(9)14)7(13)6-2-4-10-5-3-6/h2-5H,1H3,(H3,9,11,14).
What are the key properties of [methyl(pyridine-4-carbonyl)amino]thiourea?
[methyl(pyridine-4-carbonyl)amino]thiourea has a molecular weight of 210.26 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(pyridine-4-carbonyl)amino]thiourea is sourced from PubChem (CID 91311342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).