1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea

C15H15N3OS — CID 137250068

IUPAC1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
SMILESCc1ccc(O)c(C=NNC(=S)Nc2ccccc2)c1
InChIInChI=1S/C15H15N3OS/c1-11-7-8-14(19)12(9-11)10-16-18-15(20)17-13-5-3-2-4-6-13/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyBDMOVJGLKHSLTI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.02
Rot. Bonds3

About 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea

1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea (PubChem CID 137250068) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
PubChem CID137250068
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
SMILESCc1ccc(O)c(C=NNC(=S)Nc2ccccc2)c1
InChIInChI=1S/C15H15N3OS/c1-11-7-8-14(19)12(9-11)10-16-18-15(20)17-13-5-3-2-4-6-13/h2-10,19H,1H3,(H2,17,18,20)
InChIKeyBDMOVJGLKHSLTI-UHFFFAOYSA-N
XLogP3.02
TPSA56.65 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 ≤ 53.02
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

1-[(E)-[2-hydroxy-5-methyl-3-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]-3-phenylthiourea
CID 135519262
1-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 136782228
1-(4-bromophenyl)-3-[(2-hydroxyphenyl)methylideneamino]thiourea
CID 137250213
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-phenylthiourea
CID 136786868
1-[(E)-(3-hydroxy-2-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 10747561
1-[(2-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 4980287
1-[(E)-(2-bromophenyl)methylideneamino]-3-(3-methylphenyl)thiourea
CID 45054455
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
CID 135763557
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea
CID 135441799
1-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-3-phenylthiourea
CID 963301

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea?
The IUPAC name of 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea (CID 137250068) is 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea.
What is the SMILES notation for 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea?
The canonical SMILES for 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea is Cc1ccc(O)c(C=NNC(=S)Nc2ccccc2)c1.
What is the InChIKey of 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea?
The InChIKey is BDMOVJGLKHSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-11-7-8-14(19)12(9-11)10-16-18-15(20)17-13-5-3-2-4-6-13/h2-10,19H,1H3,(H2,17,18,20).
What are the key properties of 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea?
1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea has a molecular weight of 285.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea is sourced from PubChem (CID 137250068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).