[(8-hydroxyquinolin-7-yl)methylideneamino]thiourea

C11H10N4OS — CID 141427358

IUPAC[(8-hydroxyquinolin-7-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc2cccnc2c1O
InChIInChI=1S/C11H10N4OS/c12-11(17)15-14-6-8-4-3-7-2-1-5-13-9(7)10(8)16/h1-6,16H,(H3,12,15,17)
InChIKeyKPUWTYULMKVFIR-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.11
Rot. Bonds2

About [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea

[(8-hydroxyquinolin-7-yl)methylideneamino]thiourea (PubChem CID 141427358) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(8-hydroxyquinolin-7-yl)methylideneamino]thiourea
PubChem CID141427358
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name[(8-hydroxyquinolin-7-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1ccc2cccnc2c1O
InChIInChI=1S/C11H10N4OS/c12-11(17)15-14-6-8-4-3-7-2-1-5-13-9(7)10(8)16/h1-6,16H,(H3,12,15,17)
InChIKeyKPUWTYULMKVFIR-UHFFFAOYSA-N
XLogP1.11
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-[(2E)-2-[(8-hydroxyquinolin-7-yl)methylidene]hydrazinyl]quinolin-8-ol
CID 135509586
(1,8-naphthyridin-2-ylmethylideneamino)thiourea
CID 75146831
[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 3119183
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
[(2-chloroquinolin-3-yl)methylideneamino]thiourea
CID 71333342
CID 50936105
CID 50936105
[(Z)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]thiourea
CID 135851665
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-quinolin-8-ylthiourea
CID 136766500
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
[(E)-acridin-9-ylmethylideneamino]thiourea
CID 127261622
(acridin-9-ylmethylideneamino)thiourea
CID 71356820

Frequently Asked Questions

What is the IUPAC name of [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea?
The IUPAC name of [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea (CID 141427358) is [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea.
What is the SMILES notation for [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea?
The canonical SMILES for [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea is NC(=S)NN=Cc1ccc2cccnc2c1O.
What is the InChIKey of [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea?
The InChIKey is KPUWTYULMKVFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-11(17)15-14-6-8-4-3-7-2-1-5-13-9(7)10(8)16/h1-6,16H,(H3,12,15,17).
What are the key properties of [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea?
[(8-hydroxyquinolin-7-yl)methylideneamino]thiourea has a molecular weight of 246.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8-hydroxyquinolin-7-yl)methylideneamino]thiourea is sourced from PubChem (CID 141427358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).