[(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea

C10H14N4OS — CID 46244949

IUPAC[(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea
SMILESCCOc1ccc(/C(C)=N/NC(N)=S)nc1
InChIInChI=1S/C10H14N4OS/c1-3-15-8-4-5-9(12-6-8)7(2)13-14-10(11)16/h4-6H,3H2,1-2H3,(H3,11,14,16)/b13-7+
InChIKeyGKUYGSRTYCRYGN-NTUHNPAUSA-N
MW238.32 g/mol
LogP1.04
Rot. Bonds4

About [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea

[(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea (PubChem CID 46244949) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea
PubChem CID46244949
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name[(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea
SMILESCCOc1ccc(/C(C)=N/NC(N)=S)nc1
InChIInChI=1S/C10H14N4OS/c1-3-15-8-4-5-9(12-6-8)7(2)13-14-10(11)16/h4-6H,3H2,1-2H3,(H3,11,14,16)/b13-7+
InChIKeyGKUYGSRTYCRYGN-NTUHNPAUSA-N
XLogP1.04
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
[(E)-1-(5-butylpyrazin-2-yl)ethylideneamino]thiourea
CID 71744968
[1-[6-[N-(carbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 3940512
[(Z)-1-pyrazin-2-ylethylideneamino]thiourea
CID 5375406
5-ethoxy-N-phenylpyridine-2-carbothioamide
CID 146277079
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
CID 115488829
[1-[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl]ethylideneamino]thiourea
CID 2746725
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea?
The IUPAC name of [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea (CID 46244949) is [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea.
What is the SMILES notation for [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea?
The canonical SMILES for [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea is CCOc1ccc(/C(C)=N/NC(N)=S)nc1.
What is the InChIKey of [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea?
The InChIKey is GKUYGSRTYCRYGN-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-15-8-4-5-9(12-6-8)7(2)13-14-10(11)16/h4-6H,3H2,1-2H3,(H3,11,14,16)/b13-7+.
What are the key properties of [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea?
[(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea has a molecular weight of 238.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(5-ethoxy-2-pyridinyl)ethylideneamino]thiourea is sourced from PubChem (CID 46244949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).