[(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea

C8H10N4OS — CID 135727040

IUPAC[(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea
SMILESCc1ccnc(/C=N/NC(N)=S)c1O
InChIInChI=1S/C8H10N4OS/c1-5-2-3-10-6(7(5)13)4-11-12-8(9)14/h2-4,13H,1H3,(H3,9,12,14)/b11-4+
InChIKeyCLZAHASUZHYBKE-NYYWCZLTSA-N
MW210.26 g/mol
LogP0.26
Rot. Bonds2

About [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea

[(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea (PubChem CID 135727040) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea
PubChem CID135727040
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name[(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea
SMILESCc1ccnc(/C=N/NC(N)=S)c1O
InChIInChI=1S/C8H10N4OS/c1-5-2-3-10-6(7(5)13)4-11-12-8(9)14/h2-4,13H,1H3,(H3,9,12,14)/b11-4+
InChIKeyCLZAHASUZHYBKE-NYYWCZLTSA-N
XLogP0.26
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea?
The IUPAC name of [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea (CID 135727040) is [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea is Cc1ccnc(/C=N/NC(N)=S)c1O.
What is the InChIKey of [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea?
The InChIKey is CLZAHASUZHYBKE-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-5-2-3-10-6(7(5)13)4-11-12-8(9)14/h2-4,13H,1H3,(H3,9,12,14)/b11-4+.
What are the key properties of [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea?
[(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea has a molecular weight of 210.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-hydroxy-4-methyl-2-pyridinyl)methylideneamino]thiourea is sourced from PubChem (CID 135727040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).