1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea

C11H15N5O2S — CID 3329372

IUPAC1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea
SMILESOc1ccc(C=NNC(=S)NN2CCOCC2)nc1
InChIInChI=1S/C11H15N5O2S/c17-10-2-1-9(12-8-10)7-13-14-11(19)15-16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2,(H2,14,15,19)
InChIKeyINPDHJHDGYSNOK-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.17
Rot. Bonds3

About 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea

1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea (PubChem CID 3329372) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea.

Molecular Properties

Compound Name1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea
PubChem CID3329372
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea
SMILESOc1ccc(C=NNC(=S)NN2CCOCC2)nc1
InChIInChI=1S/C11H15N5O2S/c17-10-2-1-9(12-8-10)7-13-14-11(19)15-16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2,(H2,14,15,19)
InChIKeyINPDHJHDGYSNOK-UHFFFAOYSA-N
XLogP-0.17
TPSA82.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-[(E)-(5-hydroxy-2-pyridinyl)methylideneamino]-3-(methoxymethyl)thiourea
CID 135443619
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)thiourea
CID 170856482
1-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamothioylamino]piperazin-1-yl]thiourea
CID 135527146
1,3-bis[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiourea
CID 6905503
1-(4-hydroxyphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]thiourea
CID 177447098
1-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 136879316
1-(3-chloro-4-methylphenyl)-3-morpholin-4-ylthiourea
CID 19653735
1-benzamido-3-morpholin-4-ylthiourea
CID 95931415
1,3-bis[(E)-pyridin-2-ylmethylideneamino]thiourea;bis(cadmium(2+))
CID 10436322
1-(2,3-dimethylphenyl)-3-morpholin-4-ylthiourea
CID 2917531
1-(4-acetylphenyl)-3-morpholin-4-ylthiourea
CID 17282119
[(E)-[5-(methylamino)-2-pyridinyl]methylideneamino]thiourea
CID 10219945

Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea?
The IUPAC name of 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea (CID 3329372) is 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea.
What is the SMILES notation for 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea?
The canonical SMILES for 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea is Oc1ccc(C=NNC(=S)NN2CCOCC2)nc1.
What is the InChIKey of 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea?
The InChIKey is INPDHJHDGYSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c17-10-2-1-9(12-8-10)7-13-14-11(19)15-16-3-5-18-6-4-16/h1-2,7-8,17H,3-6H2,(H2,14,15,19).
What are the key properties of 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea?
1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea has a molecular weight of 281.34 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydroxy-2-pyridinyl)methylideneamino]-3-morpholin-4-ylthiourea is sourced from PubChem (CID 3329372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).