1-acetamido-3-(2-phenylethyl)thiourea

C11H15N3OS — CID 2343397

IUPAC1-acetamido-3-(2-phenylethyl)thiourea
SMILESCC(=O)NNC(=S)NCCc1ccccc1
InChIInChI=1S/C11H15N3OS/c1-9(15)13-14-11(16)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15)(H2,12,14,16)
InChIKeyZUWCTXWLSJYHIR-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.74
Rot. Bonds3

About 1-acetamido-3-(2-phenylethyl)thiourea

1-acetamido-3-(2-phenylethyl)thiourea (PubChem CID 2343397) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-acetamido-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-acetamido-3-(2-phenylethyl)thiourea
PubChem CID2343397
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-acetamido-3-(2-phenylethyl)thiourea
SMILESCC(=O)NNC(=S)NCCc1ccccc1
InChIInChI=1S/C11H15N3OS/c1-9(15)13-14-11(16)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15)(H2,12,14,16)
InChIKeyZUWCTXWLSJYHIR-UHFFFAOYSA-N
XLogP0.74
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-acetamido-3-(2-phenylethyl)thiourea (CID 2343397) is 1-acetamido-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-acetamido-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-acetamido-3-(2-phenylethyl)thiourea is CC(=O)NNC(=S)NCCc1ccccc1.
What is the InChIKey of 1-acetamido-3-(2-phenylethyl)thiourea?
The InChIKey is ZUWCTXWLSJYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-9(15)13-14-11(16)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,15)(H2,12,14,16).
What are the key properties of 1-acetamido-3-(2-phenylethyl)thiourea?
1-acetamido-3-(2-phenylethyl)thiourea has a molecular weight of 237.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 2343397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).