[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea

C11H15N5OS — CID 135804052

IUPAC[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea
SMILESCC(=N/NC(N)=S)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C11H15N5OS/c1-7-3-5-9(6-4-7)13-10(16-17)8(2)14-15-11(12)18/h3-6,17H,1-2H3,(H,13,16)(H3,12,15,18)/b14-8-
InChIKeyMNKRZYDXZNRMIK-ZSOIEALJSA-N
MW265.34 g/mol
LogP1.21
Rot. Bonds3

About [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea

[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea (PubChem CID 135804052) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea
PubChem CID135804052
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea
SMILESCC(=N/NC(N)=S)/C(=N/c1ccc(C)cc1)NO
InChIInChI=1S/C11H15N5OS/c1-7-3-5-9(6-4-7)13-10(16-17)8(2)14-15-11(12)18/h3-6,17H,1-2H3,(H,13,16)(H3,12,15,18)/b14-8-
InChIKeyMNKRZYDXZNRMIK-ZSOIEALJSA-N
XLogP1.21
TPSA95.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-(benzylidenehydrazinylidene)-N-hydroxy-N'-(4-methylphenyl)propanimidamide
CID 168664778
(2E)-N-hydroxy-N'-phenyl-2-(phenylhydrazinylidene)propanimidamide
CID 135776417
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide
CID 50742046
[N'-(4-methylphenyl)carbamimidoyl]urea
CID 135406039
[(E)-3-oxobutan-2-ylideneamino]thiourea
CID 12861991
[(E)-[1-(4-methylanilino)-1-sulfanylidenepropan-2-ylidene]amino]urea
CID 95240430
N'-[N'-(4-methylphenyl)carbamimidoyl]ethanimidamide
CID 142053429
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamodithioate
CID 87476674
[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea
CID 23024423
[4-(4-methylphenyl)sulfonylbutan-2-ylideneamino]thiourea
CID 2835385

Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea?
The IUPAC name of [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea (CID 135804052) is [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea?
The canonical SMILES for [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea is CC(=N/NC(N)=S)/C(=N/c1ccc(C)cc1)NO.
What is the InChIKey of [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea?
The InChIKey is MNKRZYDXZNRMIK-ZSOIEALJSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-7-3-5-9(6-4-7)13-10(16-17)8(2)14-15-11(12)18/h3-6,17H,1-2H3,(H,13,16)(H3,12,15,18)/b14-8-.
What are the key properties of [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea?
[(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea has a molecular weight of 265.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(hydroxyamino)-1-(4-methylphenyl)iminopropan-2-ylidene]amino]thiourea is sourced from PubChem (CID 135804052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).