[(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea

C11H10N4OS — CID 135400889

IUPAC[(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1nccc2c(O)cccc12
InChIInChI=1S/C11H10N4OS/c12-11(17)15-14-6-9-7-2-1-3-10(16)8(7)4-5-13-9/h1-6,16H,(H3,12,15,17)/b14-6-
InChIKeyYUMIFBHSJGNLSX-NSIKDUERSA-N
MW246.30 g/mol
LogP1.11
Rot. Bonds2

About [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea

[(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea (PubChem CID 135400889) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea
PubChem CID135400889
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name[(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea
SMILESNC(=S)N/N=C\c1nccc2c(O)cccc12
InChIInChI=1S/C11H10N4OS/c12-11(17)15-14-6-9-7-2-1-3-10(16)8(7)4-5-13-9/h1-6,16H,(H3,12,15,17)/b14-6-
InChIKeyYUMIFBHSJGNLSX-NSIKDUERSA-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': '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

Isoquinolin-5-ol
CID 30386
Isoquinolinium, 2-ethyl-5-hydroxy-, bromide
CID 20588
3-[(E)-(7-hydroxyquinolin-8-yl)methylideneamino]-1,1-dimethylthiourea
CID 136237276
1-[(E)-(7-hydroxyquinolin-8-yl)methylideneamino]-3-methylthiourea
CID 136237278
1-Methylisoquinolin-5-ol
CID 17830641
Isoquinolin-5-ol--hydrogen chloride (1/1)
CID 30385
2-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
CID 135630534
1-(((3-Mercapto-5-(2-pyridinyl)-4H-1,2,4-triazol-4-YL)imino)methyl)-2-naphthol
CID 135651166
3-Methylisoquinolin-8-ol
CID 135563283
1,4-Dimethylisoquinolin-5-ol
CID 10702359
5-(Aminomethyl)quinolin-6-ol dihydrochloride
CID 12857228
2-Decylisoquinolin-2-ium-5-ol bromide
CID 127025735

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea (CID 135400889) is [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea is NC(=S)N/N=C\c1nccc2c(O)cccc12.
What is the InChIKey of [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea?
The InChIKey is YUMIFBHSJGNLSX-NSIKDUERSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-11(17)15-14-6-9-7-2-1-3-10(16)8(7)4-5-13-9/h1-6,16H,(H3,12,15,17)/b14-6-.
What are the key properties of [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea?
[(Z)-(5-hydroxyisoquinolin-1-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 [(Z)-(5-hydroxyisoquinolin-1-yl)methylideneamino]thiourea is sourced from PubChem (CID 135400889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).