[[2-(2-hydroxyphenoxy)acetyl]amino]thiourea

C9H11N3O3S — CID 676629

IUPAC[[2-(2-hydroxyphenoxy)acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)COc1ccccc1O
InChIInChI=1S/C9H11N3O3S/c10-9(16)12-11-8(14)5-15-7-4-2-1-3-6(7)13/h1-4,13H,5H2,(H,11,14)(H3,10,12,16)
InChIKeyVVEBLRHASZHXCI-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.36
Rot. Bonds3

About [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea

[[2-(2-hydroxyphenoxy)acetyl]amino]thiourea (PubChem CID 676629) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea.

Molecular Properties

Compound Name[[2-(2-hydroxyphenoxy)acetyl]amino]thiourea
PubChem CID676629
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name[[2-(2-hydroxyphenoxy)acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)COc1ccccc1O
InChIInChI=1S/C9H11N3O3S/c10-9(16)12-11-8(14)5-15-7-4-2-1-3-6(7)13/h1-4,13H,5H2,(H,11,14)(H3,10,12,16)
InChIKeyVVEBLRHASZHXCI-UHFFFAOYSA-N
XLogP-0.36
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methoxyphenoxy)acetohydrazide
CID 580001
2-(2-Hydroxyphenoxy)acetamide
CID 786426
2-(2-Methoxyphenoxy)propanohydrazide
CID 5001776
(2,3-Dihydro-1,4-benzodioxine-3-carbonylamino)thiourea
CID 2851929
2-(2-Hydroxyphenoxy)acetohydrazide
CID 1547697
2-{[(2-Fluorophenyl)oxy]acetyl}hydrazinecarbothioamide
CID 59319911
[[2-(2,4-Difluorophenoxy)acetyl]amino]thiourea
CID 87565177
[[2-(3-Fluorophenoxy)acetyl]amino]thiourea
CID 90764107
[[2-(4-Fluorophenoxy)acetyl]amino]thiourea
CID 91400982
2-(2-Ethoxyphenoxy)acetohydrazide
CID 676790
N'-[2-(2-fluorophenoxy)acetyl]-2-(2-hydroxyphenoxy)acetohydrazide
CID 2712951
2-[2-(Trifluoromethoxy)phenoxy]acetohydrazide
CID 116280492

Frequently Asked Questions

What is the IUPAC name of [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea?
The IUPAC name of [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea (CID 676629) is [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea.
What is the SMILES notation for [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea?
The canonical SMILES for [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea is NC(=S)NNC(=O)COc1ccccc1O.
What is the InChIKey of [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea?
The InChIKey is VVEBLRHASZHXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c10-9(16)12-11-8(14)5-15-7-4-2-1-3-6(7)13/h1-4,13H,5H2,(H,11,14)(H3,10,12,16).
What are the key properties of [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea?
[[2-(2-hydroxyphenoxy)acetyl]amino]thiourea has a molecular weight of 241.27 g/mol, XLogP of -0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-hydroxyphenoxy)acetyl]amino]thiourea is sourced from PubChem (CID 676629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).