1-ethyl-1-(pyridine-2-carbonylamino)thiourea

C9H12N4OS — CID 22301171

IUPAC1-ethyl-1-(pyridine-2-carbonylamino)thiourea
SMILESCCN(NC(=O)c1ccccn1)C(N)=S
InChIInChI=1S/C9H12N4OS/c1-2-13(9(10)15)12-8(14)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H2,10,15)(H,12,14)
InChIKeyQOJSNWNZEPCCIP-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.29
Rot. Bonds2

About 1-ethyl-1-(pyridine-2-carbonylamino)thiourea

1-ethyl-1-(pyridine-2-carbonylamino)thiourea (PubChem CID 22301171) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-ethyl-1-(pyridine-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-ethyl-1-(pyridine-2-carbonylamino)thiourea
PubChem CID22301171
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name1-ethyl-1-(pyridine-2-carbonylamino)thiourea
SMILESCCN(NC(=O)c1ccccn1)C(N)=S
InChIInChI=1S/C9H12N4OS/c1-2-13(9(10)15)12-8(14)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H2,10,15)(H,12,14)
InChIKeyQOJSNWNZEPCCIP-UHFFFAOYSA-N
XLogP0.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.29
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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Related Compounds

1-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-ethylthiourea
CID 22305911
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-2-carboxamide
CID 110475836
ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyridine-2-carboxamide
CID 103890812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(pyridine-2-carbonylamino)thiourea?
The IUPAC name of 1-ethyl-1-(pyridine-2-carbonylamino)thiourea (CID 22301171) is 1-ethyl-1-(pyridine-2-carbonylamino)thiourea.
What is the SMILES notation for 1-ethyl-1-(pyridine-2-carbonylamino)thiourea?
The canonical SMILES for 1-ethyl-1-(pyridine-2-carbonylamino)thiourea is CCN(NC(=O)c1ccccn1)C(N)=S.
What is the InChIKey of 1-ethyl-1-(pyridine-2-carbonylamino)thiourea?
The InChIKey is QOJSNWNZEPCCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-2-13(9(10)15)12-8(14)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H2,10,15)(H,12,14).
What are the key properties of 1-ethyl-1-(pyridine-2-carbonylamino)thiourea?
1-ethyl-1-(pyridine-2-carbonylamino)thiourea has a molecular weight of 224.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(pyridine-2-carbonylamino)thiourea is sourced from PubChem (CID 22301171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).