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

C10H13N3OS — CID 3035552

IUPAC1-acetamido-3-(2-methylphenyl)thiourea
SMILESCC(=O)NNC(=S)Nc1ccccc1C
InChIInChI=1S/C10H13N3OS/c1-7-5-3-4-6-9(7)11-10(15)13-12-8(2)14/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyCWYPXAJXYUZCJG-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.33
Rot. Bonds1

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

1-acetamido-3-(2-methylphenyl)thiourea (PubChem CID 3035552) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-acetamido-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-acetamido-3-(2-methylphenyl)thiourea
PubChem CID3035552
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name1-acetamido-3-(2-methylphenyl)thiourea
SMILESCC(=O)NNC(=S)Nc1ccccc1C
InChIInChI=1S/C10H13N3OS/c1-7-5-3-4-6-9(7)11-10(15)13-12-8(2)14/h3-6H,1-2H3,(H,12,14)(H2,11,13,15)
InChIKeyCWYPXAJXYUZCJG-UHFFFAOYSA-N
XLogP1.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.33
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-methylphenyl)thiourea?
The IUPAC name of 1-acetamido-3-(2-methylphenyl)thiourea (CID 3035552) is 1-acetamido-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-acetamido-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-acetamido-3-(2-methylphenyl)thiourea is CC(=O)NNC(=S)Nc1ccccc1C.
What is the InChIKey of 1-acetamido-3-(2-methylphenyl)thiourea?
The InChIKey is CWYPXAJXYUZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-5-3-4-6-9(7)11-10(15)13-12-8(2)14/h3-6H,1-2H3,(H,12,14)(H2,11,13,15).
What are the key properties of 1-acetamido-3-(2-methylphenyl)thiourea?
1-acetamido-3-(2-methylphenyl)thiourea has a molecular weight of 223.30 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 3035552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).