[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea

C12H17N3O2S — CID 168534816

IUPAC[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea
SMILESCOc1cc(C(C)C)cc(C=NNC(N)=S)c1O
InChIInChI=1S/C12H17N3O2S/c1-7(2)8-4-9(6-14-15-12(13)18)11(16)10(5-8)17-3/h4-7,16H,1-3H3,(H3,13,15,18)
InChIKeyAXCMNCRQGCZNHF-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.69
Rot. Bonds4

About [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea

[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea (PubChem CID 168534816) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea
PubChem CID168534816
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea
SMILESCOc1cc(C(C)C)cc(C=NNC(N)=S)c1O
InChIInChI=1S/C12H17N3O2S/c1-7(2)8-4-9(6-14-15-12(13)18)11(16)10(5-8)17-3/h4-7,16H,1-3H3,(H3,13,15,18)
InChIKeyAXCMNCRQGCZNHF-UHFFFAOYSA-N
XLogP1.69
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.69
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'}

Analyze [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol
CID 168529675
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
[(Z)-[3-[(E)-(carbamothioylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]thiourea
CID 135851665
[(2-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 168535021
[(2-fluoro-4,5-dimethoxyphenyl)methylideneamino]thiourea
CID 168534705
[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135851173
[(4-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 168535620
[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135804345
N-[(E)-[3-[(E)-(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
CID 135455074
1-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 135689950
[(2,3-difluoro-5-methoxy-4-methylphenyl)methylideneamino]thiourea
CID 168536412

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea?
The IUPAC name of [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea (CID 168534816) is [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea is COc1cc(C(C)C)cc(C=NNC(N)=S)c1O.
What is the InChIKey of [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea?
The InChIKey is AXCMNCRQGCZNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7(2)8-4-9(6-14-15-12(13)18)11(16)10(5-8)17-3/h4-7,16H,1-3H3,(H3,13,15,18).
What are the key properties of [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea?
[(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea has a molecular weight of 267.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 168534816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).