[[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea

C15H15N3OS — CID 168534984

IUPAC[[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C15H15N3OS/c16-15(20)18-17-9-12-2-1-3-14(8-12)13-6-4-11(10-19)5-7-13/h1-9,19H,10H2,(H3,16,18,20)
InChIKeyRIVJGUWLMGUOPW-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.01
Rot. Bonds4

About [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea

[[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea (PubChem CID 168534984) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
PubChem CID168534984
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
SMILESNC(=S)NN=Cc1cccc(-c2ccc(CO)cc2)c1
InChIInChI=1S/C15H15N3OS/c16-15(20)18-17-9-12-2-1-3-14(8-12)13-6-4-11(10-19)5-7-13/h1-9,19H,10H2,(H3,16,18,20)
InChIKeyRIVJGUWLMGUOPW-UHFFFAOYSA-N
XLogP2.01
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze [[3-[4-(hydroxymethyl)phenyl]phenyl]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-hydroxy-5-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
CID 136598454
[[2-hydroxy-5-[3-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
CID 136591908
[(E)-(4-phenylphenyl)methylideneamino]thiourea;hydrate
CID 139078865
[(E)-(3-bromophenyl)methylideneamino]thiourea
CID 7695054
[(Z)-(3-methylphenyl)methylideneamino]thiourea
CID 5375307
[[3-(cyanomethyl)phenyl]methylideneamino]thiourea
CID 168536537
[[3-(1,2,4-oxadiazol-3-yl)phenyl]methylideneamino]thiourea
CID 168535172
[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
CID 168626606
[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]thiourea
CID 900233
[(E)-(3-nitrosophenyl)methylideneamino]thiourea
CID 19165032
2-[3-[(carbamothioylhydrazinylidene)methyl]phenyl]benzoic acid
CID 168536180
3-[(carbamothioylhydrazinylidene)methyl]benzoic acid
CID 71395516

Frequently Asked Questions

What is the IUPAC name of [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea?
The IUPAC name of [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea (CID 168534984) is [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea.
What is the SMILES notation for [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea?
The canonical SMILES for [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea is NC(=S)NN=Cc1cccc(-c2ccc(CO)cc2)c1.
What is the InChIKey of [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea?
The InChIKey is RIVJGUWLMGUOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c16-15(20)18-17-9-12-2-1-3-14(8-12)13-6-4-11(10-19)5-7-13/h1-9,19H,10H2,(H3,16,18,20).
What are the key properties of [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea?
[[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea has a molecular weight of 285.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 168534984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).