[[2-(4-methylphenoxy)acetyl]amino]thiourea

C10H13N3O2S — CID 11020991

IUPAC[[2-(4-methylphenoxy)acetyl]amino]thiourea
SMILESCc1ccc(OCC(=O)NNC(N)=S)cc1
InChIInChI=1S/C10H13N3O2S/c1-7-2-4-8(5-3-7)15-6-9(14)12-13-10(11)16/h2-5H,6H2,1H3,(H,12,14)(H3,11,13,16)
InChIKeyWKYZVCZMTSTILO-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.24
Rot. Bonds3

About [[2-(4-methylphenoxy)acetyl]amino]thiourea

[[2-(4-methylphenoxy)acetyl]amino]thiourea (PubChem CID 11020991) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is [[2-(4-methylphenoxy)acetyl]amino]thiourea.

Molecular Properties

Compound Name[[2-(4-methylphenoxy)acetyl]amino]thiourea
PubChem CID11020991
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name[[2-(4-methylphenoxy)acetyl]amino]thiourea
SMILESCc1ccc(OCC(=O)NNC(N)=S)cc1
InChIInChI=1S/C10H13N3O2S/c1-7-2-4-8(5-3-7)15-6-9(14)12-13-10(11)16/h2-5H,6H2,1H3,(H,12,14)(H3,11,13,16)
InChIKeyWKYZVCZMTSTILO-UHFFFAOYSA-N
XLogP0.24
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(4-bromophenoxy)acetyl]amino]thiourea
CID 46706012
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
[[2-[4-(methanesulfonamido)phenoxy]acetyl]amino]thiourea
CID 89489484
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
2-(4-methylphenoxy)ethanethioamide
CID 7745454
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
1-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 968555
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079

Frequently Asked Questions

What is the IUPAC name of [[2-(4-methylphenoxy)acetyl]amino]thiourea?
The IUPAC name of [[2-(4-methylphenoxy)acetyl]amino]thiourea (CID 11020991) is [[2-(4-methylphenoxy)acetyl]amino]thiourea.
What is the SMILES notation for [[2-(4-methylphenoxy)acetyl]amino]thiourea?
The canonical SMILES for [[2-(4-methylphenoxy)acetyl]amino]thiourea is Cc1ccc(OCC(=O)NNC(N)=S)cc1.
What is the InChIKey of [[2-(4-methylphenoxy)acetyl]amino]thiourea?
The InChIKey is WKYZVCZMTSTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-2-4-8(5-3-7)15-6-9(14)12-13-10(11)16/h2-5H,6H2,1H3,(H,12,14)(H3,11,13,16).
What are the key properties of [[2-(4-methylphenoxy)acetyl]amino]thiourea?
[[2-(4-methylphenoxy)acetyl]amino]thiourea has a molecular weight of 239.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-methylphenoxy)acetyl]amino]thiourea is sourced from PubChem (CID 11020991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).