[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea

C15H15N3OS — CID 136657265

IUPAC[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea
SMILESCc1cccc(-c2ccc(O)c(/C=N\NC(N)=S)c2)c1
InChIInChI=1S/C15H15N3OS/c1-10-3-2-4-11(7-10)12-5-6-14(19)13(8-12)9-17-18-15(16)20/h2-9,19H,1H3,(H3,16,18,20)/b17-9-
InChIKeyKMYSZDITYXNPTQ-MFOYZWKCSA-N
MW285.37 g/mol
LogP2.53
Rot. Bonds3

About [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea

[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea (PubChem CID 136657265) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea
PubChem CID136657265
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea
SMILESCc1cccc(-c2ccc(O)c(/C=N\NC(N)=S)c2)c1
InChIInChI=1S/C15H15N3OS/c1-10-3-2-4-11(7-10)12-5-6-14(19)13(8-12)9-17-18-15(16)20/h2-9,19H,1H3,(H3,16,18,20)/b17-9-
InChIKeyKMYSZDITYXNPTQ-MFOYZWKCSA-N
XLogP2.53
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]urea
CID 136506570
[[2-hydroxy-5-[3-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
CID 136591908
[[2-hydroxy-5-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
CID 136598454
[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 5375307
[(Z)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]thiourea
CID 135851665
[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]thiourea
CID 5415234
[(2-bromo-4-methylphenyl)methylideneamino]thiourea
CID 168534183
1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
CID 137250068
1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 136782228
[[5-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]thiourea
CID 135990550
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135546379
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea?
The IUPAC name of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea (CID 136657265) is [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea.
What is the SMILES notation for [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea?
The canonical SMILES for [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea is Cc1cccc(-c2ccc(O)c(/C=N\NC(N)=S)c2)c1.
What is the InChIKey of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea?
The InChIKey is KMYSZDITYXNPTQ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-3-2-4-11(7-10)12-5-6-14(19)13(8-12)9-17-18-15(16)20/h2-9,19H,1H3,(H3,16,18,20)/b17-9-.
What are the key properties of [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea?
[(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea has a molecular weight of 285.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-hydroxy-5-(3-methylphenyl)phenyl]methylideneamino]thiourea is sourced from PubChem (CID 136657265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).