1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea

C8H10N4OS — CID 25193705

IUPAC1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea
SMILESCN[14C](=S)NNC(=O)c1cccnc1
InChIInChI=1S/C8H10N4OS/c1-9-8(14)12-11-7(13)6-3-2-4-10-5-6/h2-5H,1H3,(H,11,13)(H2,9,12,14)/i8+2
InChIKeyDUIDMCFMTLDCHQ-PPJXEINESA-N
MW212.25 g/mol
LogP-0.18
Rot. Bonds1

About 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea

1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea (PubChem CID 25193705) has the molecular formula C8H10N4OS and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea.

Molecular Properties

Compound Name1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea
PubChem CID25193705
Molecular FormulaC8H10N4OS
Molecular Weight212.25 g/mol
Exact Mass212.06
IUPAC Name1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea
SMILESCN[14C](=S)NNC(=O)c1cccnc1
InChIInChI=1S/C8H10N4OS/c1-9-8(14)12-11-7(13)6-3-2-4-10-5-6/h2-5H,1H3,(H,11,13)(H2,9,12,14)/i8+2
InChIKeyDUIDMCFMTLDCHQ-PPJXEINESA-N
XLogP-0.18
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.18
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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Related Compounds

N-methylpyridine-3-carboxamide chloride
CID 20976730
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N'-(2-phenylprop-1-enyl)pyridine-3-carbohydrazide
CID 4745339
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N-(1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70617129
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl acetate
CID 174633921
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
CID 39966213

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea?
The IUPAC name of 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea (CID 25193705) is 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea.
What is the SMILES notation for 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea?
The canonical SMILES for 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea is CN[14C](=S)NNC(=O)c1cccnc1.
What is the InChIKey of 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea?
The InChIKey is DUIDMCFMTLDCHQ-PPJXEINESA-N. The full InChI is InChI=1S/C8H10N4OS/c1-9-8(14)12-11-7(13)6-3-2-4-10-5-6/h2-5H,1H3,(H,11,13)(H2,9,12,14)/i8+2.
What are the key properties of 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea?
1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea has a molecular weight of 212.25 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea is sourced from PubChem (CID 25193705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).